Saturday July 21st                                                                                                                                                                                                                                                         

1.1.1 Closing the R-Factor Gap in Protein Crystallography

Chairs: James Holton &Robert Thorne

Room: Grand West

 

Scheduled Time: 9:00 AM

Duration:20 Minutes

On the information content of X-ray diffraction data. Randy Read & Robert Oeffner.

 

Scheduled Time: 9:20 AM

Duration:20 Minutes

Improved chemistry restraints for crystallographic refinement by integrating Amber molecular mechanics in Phenix. David Case, Pqwel Janowski.

 

Scheduled Time: 9:40 AM

Duration:20 Minutes

On behaviur of statistical reliability indicators during crystal structure refinement. Garib Murshudov.

 

Scheduled Time: 10:30 AM

Duration:10 Minutes

How many conformers do you need?. James Holton.

 

Scheduled Time: 10:40 AM

Duration:20 Minutes

Better bulk-solvent models can improve model-to-data fit. Pavel Afonine.

 

Scheduled Time: 11:00 AM

Duration:20 Minutes

qFit-ligand reveals widespread conformational heterogeneity of drug-like molecules in X-ray electron density maps. Henry van den Bedem.

 

Scheduled Time: 11:20 AM

Duration:20 Minutes

Correlated Motions from Protein Crystallography. Steve Meisburger & David Case.

 

Scheduled Time: 11:40 AM

Duration:20 Minutes

Vagabond: a new project for macromolecular model refinement. Helen Ginn.

 

 

1.1.2 Structural biology of nucleic acids and protein-nucleic acid complexes

Chairs: Joseph E. Wedekind, Rui Zhao & Aaron Robart

Room: Grand East

 

Scheduled Time: 9:03 AM

Duration:20 Minutes

Deciphering Nonenzymatic RNA Polymerization through Crystallography. Wen Zhang.

 

Scheduled Time: 9:23 AM

Duration:12 Minutes

Structural and biochemical analyses of PadR-mediated transcriptional regulation. Sun Cheol Park.

 

Scheduled Time: 9:35 AM

Duration:25 Minutes

Using X-ray free electron laser to capture intermediate states. Yun-Xing Wang & Jason Stagno.

 

Scheduled Time: 10:30 AM

Duration:25 Minutes

Emerging views of U2AF at the 3´ splice site:  A disease-relevant step of gene expression. Clara Kielkopf & Chandani Warnasooriya.

 

Scheduled Time: 10:55 AM

Duration:20 Minutes

Architecture of the U6 snRNP reveals specific recognition of 3′-end processed U6 snRNA. Eric Montemayor & Allison Didychuk.

 

Scheduled Time: 11:15 AM

Duration:20 Minutes

Regulating bacterial gene expression with small molecules by altering DNA supercoiling. Soumya G Remesh & Subhasg Verma.

 

Scheduled Time: 11:35 AM

Duration:25 Minutes

Spacer acquisition mechanism in type II-A CRISPR system. Ailong Ke & Yiebi Xiao.

 

 

1.1.3 Dynamic Crystals as Molecular Materials

Chairs: Dmitriy V. Soldatov & Louise Dawe

Room: Provincial North

 

Scheduled Time: 9:00 AM

Duration:30 Minutes

Crystal Engineering of Photoreactive and Photosalient Crystals. Jagadese Vittal.

 

Scheduled Time: 9:30 AM

Duration:15 Minutes

Amphidynamic Behavior in Covalent Organic Frameworks probed via Powder X-ray Diffraction and 13C CP-MAS T1 relaxation experiments. Demetrius Vazquez-Molina.

 

Scheduled Time: 9:45 AM

Duration:15 Minutes

Reversible Single Crystal-to-Single Crystal Phase Transition with Low-Temperature Induced Twinning of Diphenhydramine Citrate Salt. Kunlin Wang & Chenguang Wang.

 

Scheduled Time: 10:30 AM

Duration:20 Minutes

Photochemistry in nanocontainers. Yael Diskin-Posner & Linda L.J. Shimon.

 

Scheduled Time: 10:50 AM

Duration:30 Minutes

Functional zwitterionic metal-organic frameworks with multi stimulus-responsive properties. Mario Wriedt & Darpandeep Aulakh.

 

Scheduled Time: 11:20 AM

Duration:20 Minutes

Understanding the stepwise mechanism in the formation of halogen-bonded organic cocrystals by mechanochemistry. Filip Topić & Poppy Hindle.

 

Scheduled Time: 11:40 AM

Duration:20 Minutes

Dithienylethene Based Crystalline Solids. Travis Mitchell & Dinesh (Dan) Patel.

 

 

1.1.4 Neutron and X-ray Scattering of Correlated and Quantum Materials

Chairs: J.E. Greedan &Craig Bridges

Room: Provincial South

 

Scheduled Time: 9:00 AM

Duration:30 Minutes

The Fourth Ferroic: Ferrotoroidicity and Spherical Neutron Polarimetry. Efrain Rodriguez, Stephanie Gnewuch.

 

Scheduled Time: 9:30 AM

Duration:15 Minutes

A Comparison of the Magnetic Structures of Candidate Ferrotoroidic Olivine Materials. Stephanie Gnewuch, Efrain Rodriguez.

 

Scheduled Time: 9:45 AM

Duration:15 Minutes

Long range versus short range spin correlations in A0.8La1.2MnO4.1 (A = Sr, Ba). Mirela Dragomir.

 

Scheduled Time: 10:30 AM

Duration:20 Minutes

Perovskite and Perovskite Related Iridates. Hans-Conrad zur Loye.

 

Scheduled Time: 10:50 AM

Duration:30 Minutes

Magnetic order and spin dynamics of jeff = _ Ir4+ moments on the fcc lattice in La2BIrO6 (B = Mg, Zn).Adam Aczel.

 

Scheduled Time: 11:20 AM

Duration:20 Minutes

Magnetic Moment Fragmentation in Nd2ScNbO7. Christopher Wiebe.

 

Scheduled Time: 11:40 AM

Duration:20 Minutes

Dy2ScNbO7: an unconventional spin ice?. Megan Rutherford.

 

Updated!

1.2.1 Structural Dynamics - In honour of Phil Coppens

Chairs: Yu-Sheng Chen & Jason Benedict

Room: Grand East

 

Scheduled Time: 1:35 PM

Duration:25 Minutes

From structure to structural dynamics. Majed Chergui.

 

Scheduled Time: 2:00 PM

Duration:25 Minutes

First crystallography experiments at the European XFEL. Marc Messerschmidt.

 

Scheduled Time: 2:25 PM

Duration:25 Minutes

Ultrafast Reaction Pathways in a Metalloprotein Revealed by Optical Polarization Selected X-ray Transient Absorption Spectroscopy and Quantum Mechanical Calculations. Lin Chen.

 

Scheduled Time: 3:20 PM

Duration:25 Minutes

Molecular Engineering of Crystalline Nano-optomechanical Transducers. Jacqueline Cole.

 

Scheduled Time: 3:45 PM

Duration:15 Minutes

Visualization of 3D Diffraction: MAX3D Update. Jim Britten & Weiguang Guan.

 

Scheduled Time: 4:00 PM

Duration:25 Minutes

Dancing in a Chemical Graveyard. Tomislav Friscic.

 

Scheduled Time: 4:25 PM

Duration:10 Minutes

Advancing in situ Dynamic Single-crystal X-ray Diffraction. Gage Bateman & Jason Benedict.

 

Scheduled Time: 4:35 PM

Duration:15 Minutes

The magnitude of quanta from variance and intensity measurements. Wilfred Fullagar & Andrew Kingston.

 

Scheduled Time: 4:50 PM

Duration: 10 Minutes

Controlling topological polymorphism and dynamic behavior in ternary cocrystals Topic. Filip McGill University.


1.2.2 Hybrid Techniques

Chairs: Bhushan Nagar & Srinivas Chakravart

Room: Provincial North

 

Scheduled Time: 1:35 PM

Duration:25 Minutes

Solving the phase problem in solution scattering. Thomas Grant.

 

Scheduled Time: 2:00 PM

Duration:20 Minutes

Time-resolved SAXS using continuous-flow microfluidic mixers. Osman Bilsel, Srinivas Chakravarthy.

 

Scheduled Time: 2:20 PM

Duration:20 Minutes

Accurately characterizing protein assembly states in solution with a combination of size exclusion chromatography (SEC), multi-angle light scattering (MALS) and small angle X-ray scattering (SAXS). Zhen Xu & Lokesh Gakhar.

 

Scheduled Time: 2:40 PM

Duration:20 Minutes

Exploring the landscape of biological solutions with the BioSAXS-2000nano. Angela Criswell & Mark Del Campo.

 

Scheduled Time: 3:30 PM

Duration:25 Minutes

Characterization of Monoclonal Antibodies Using X-ray and Neutron Scattering. Joseph Curtis.

 

Scheduled Time: 3:55 PM

Duration:25 Minutes

Measuring the solvent quality of water for disordered proteins from a single SAXS measurement. Tobin Sosnick & Micayla Bowman.

 

Scheduled Time: 4:20 PM

Duration:20 Minutes

Structural insights into the interaction of the conserved mammalian proteins GAPR-1 and Beclin 1, a key autophagy protein. Christopher Colbert &Yue Li.

 

 

1.2.3 Neutrons as Complimentary Probes for Crystals and Scattering

Chairs: Leighton Coats & Gloria Borgstsal

Room: Grand West

 

Scheduled Time: 1:30 PM

Duration:30 Minutes

Controllable Activation of Nanoscale Dynamics in a Disordered Protein Alters Binding Kinetics. Zimei Bu & David Callaway.

 

Scheduled Time: 2:00 PM

Duration:30 Minutes

The missing atom in function: reliability of the determination of hydrogen positions in protein structures. Dagmar Ringe & Cheryl Kreinbring.

 

Scheduled Time: 2:30 PM

Duration:30 Minutes

Neutron Diffraction Studies of Pyridoxal-5'-Phosphate Dependent Enzymes. Timothy Mueser & Steven Dajnowicz.

 

Scheduled Time: 3:30 PM

Duration:20 Minutes

Structural Investigations into the Catalytic Mechanism of Human Manganese Superoxide Dismutase using Neutron and X-ray Crystallography. Jahaun Azadmanesh & William Lutz.

 

Scheduled Time: 3:50 PM

Duration:20 Minutes

Vitamin E, Bilayer Asymmetry and Siloxane Lipids: Neutrons and X-rays Probing Different Membrane Problems. Drew Marquardt & Michael H.L. Nguyen.

 

Scheduled Time: 4:10 PM

Duration:25 Minutes

Observing Membrane Proteins via SANS During Lipidic Cubic Phase Crystallization. Thomas Cleveland & Paul Butler.

 

Scheduled Time: 4:35 PM

Duration:25 Minutes

Improved Bragg Peak Integration for Neutron Crystallography by 3D Profile Fitting. Brendan Sullivan.

 

 

Updated!

1.2.4 Forefront of Electron Scattering for Nanoscale and Metastable Materials / Electron Diffraction

Chairs: Jing Tao & Albina Borisovich

Room: Provincial South

 

Scheduled Time: 1:30 PM

Duration:25 Minutes

Quantitative determination of polarization from 4D scanning electron diffraction experiments. Jim Ciston.

 

Scheduled Time: 1:55 PM

Duration:20 Minutes

Probing Properties and Structure of Complex Oxides Superlattices using Scanning Electron Nanodiffraction. Roberto dos Reis & Weibing Yang.

 

Scheduled Time: 2:15 PM

Duration:25 Minutes

Dynamical Calculations of Electron Diffraction for Crystals with incommensurate modulation. Lijun Wu & Yimei Zhu.

 

Scheduled Time: 2:40 PM

Duration:20 Minutes

Challenges of micro electron diffraction in protein crystals. Neela Yennawar & Hemant Yennawar.

 

Scheduled Time: 3:30 PM

Duration:30 Minutes

Probing laser-induced demagnetization dynamics in nanomaterials using ultrafast electron diffraction. Jianming Cao.

 

Scheduled Time: 4:00 PM

Duration: 30 Minutes

MeV Ultrafast Electron Scattering at SLAC: Status and Opportunities. Renkai Li, Suji Park.

 

Scheduled Time: 4:30 PM

Duration:30 Minutes

Ultrafast Electron Diffuse Scattering: Mapping Momentum Dependent Electron-Phonon Coupling and Nonequilibrium Phonon Dynamics in 2D Materials. Bradley Siwick & Mark Stern.

 

1.3.1 Career Development

Chairs: Rene Coulombe

Room: Provincial North

 


 

Sunday July 22nd                                                                                                                                                                                                                                                          

 

2.1.1 Special Sessions in Honour of Richard E. Marsh

Chairs: Louise Dawe & Mike Takase

Room: Grand West

 

Scheduled Time: 9:00 AM

Duration:20 Minutes

Honoring a Great Crystallographer: Richard E. Marsh. Susan Byram

 

Scheduled Time: 9:20 AM

Duration:20 Minutes

Crystallography at Caltech 1980-1986. Bernie Santarsiero.

 

Scheduled Time: 9:40 AM

Duration:20 Minutes

A journey through the CSD in celebration of Richard E. Marsh. Suzanna Ward &Amy Sarjeant. 

 

Scheduled Time: 10:30 AM

Duration:30 Minutes

Remembering Dick Marsh.Jenny Glusker.

 

Scheduled Time: 11:00 AM

Duration:30 Minutes

My Postdoc Work with Dick Marsh at Caltech and his Participation as a Lecturer at the ACA Summer School at the University of Georgia. Bi-Cheng Wang.

 

Scheduled Time: 11:30 AM

Duration:30 Minutes

Forty years of marshing: is the missed symmetry problem now solved?. Anthony Spek.

 

2.1.2 Current state of instrumentation, automation, status and future. Focus on practical aspects.

Chairs: Matthew Clifton & Jan Abendroth

Room: Grand East

 

Scheduled Time: 9:00 AM

Duration:20 Minutes

High throughput fragment screening at the nano-scale: laboratory miniaturization and beam-line integration. Alexei Soares.

 

Scheduled Time: 9:20 AM

Duration:20 Minutes

Refining the interface between automation and crystallisation. Janet Newman & Bevan Marshall.

 

Scheduled Time: 9:40 AM

Duration:20 Minutes

Taking care of business: new drivers for crystallographic structure- and fragment-based drug discovery.Debanu Das.

 

Scheduled Time: 10:30 AM

Duration:20 Minutes

Automated data collection services at ESRF Massif-1. Didier Nurizzo & Matthew Bowler.

 

Scheduled Time: 10:50 AM

Duration:20 Minutes

High Throughput Protein-Ligand Complex Structure Solution with Phenix. Nigel Moriarty & Paul Adams.

 

Scheduled Time: 11:10 AM

Duration:20 Minutes

Automated robot based systems for crystallography on beamlines and in laboratories, and other developments performed on FIP-BM30A at the ESRF. Jean-Luc Ferrer, Xavier Vernede.

 

Scheduled Time: 11:30 AM

Duration:15 Minutes

Advancements in automated drop setting and imaging for high throughput crystallization. Mayank Aggarwal.

 

Scheduled Time: 11:45 AM

Duration:15 Minutes

Advances in automated data analysis and processing within autoPROC, combined with improved characterisation, mitigation and visualisation of the anisotropy of diffraction limits using STARANISO. Clemens Vonrhein,Ian J. Tickle.

 

 

 

2.1.3 NMR Crystallography

Chairs: Manish Mehta & Tomislav Friscic

Room: Provincial South

 

Scheduled Time: 9:05 AM

Duration:30 Minutes

NMR Crystallography. Information on Structure, Symmetry, and Dynamics from Solid-State Multinuclear Magnetic Resonance Spectroscopy. David Bryce.

 

Scheduled Time: 9:35 AM

Duration:25 Minutes

The Role of NMR Crystallography in Structure Verification of Organic Solids. Paul Hodgkinson.

 

Scheduled Time: 10:30 AM

Duration:20 Minutes

New Pathways in NMR Crystallography: Structural Refinement and Solid-State NMR of the Periodic Table.Robert Schurko.

 

Scheduled Time: 10:50 AM

Duration:25 Minutes

Hydrogen motional disorder in crystalline iron group chloride dihydrates. Philip Grandinetti.

 

Scheduled Time: 11:15 AM

Duration:25 Minutes

What solid-state NMR can do to characterize metal-organic frameworks?. Yining Huang.

 

Scheduled Time: 11:40 AM

Duration:20 Minutes

From Solid-State NMR to Crystal Structures through Combinatorial Tiling Theory. Darren Brouwer.

 

 

2.1.4 Advances in Biological Cryo-Electron Microscopy 1

Chairs: Wah Chiu & Lori Passmore

Room: Grand Centre

 

Scheduled Time: 9:00 AM

Duration:30 Minutes

Single-Particle Cryo-EM Studies of Lipopolysaccharide Transport. Maofu Liao.

 

Scheduled Time: 9:30 AM

Duration:15 Minutes

Structure of the Insulin Receptor in Complex with Insulin using Single Particle CryoEM Analysis. Giovanna Scapin.

 

Scheduled Time: 9:45 AM

Duration:15 Minutes

Core components of bacterial protein secretion systems revealed at high resolution by cryo-electron microscopy. Justin Deme.

 

Scheduled Time: 10:30 AM

Duration:30 Minutes

How is electrical signal generated? Structural and mechanistic investigations of Nav channels.Nieng Yan.

 

Scheduled Time: 11:00 AM

Duration:15 Minutes

eBIC: Applying over 10yrs of software automation and support of MX beamlines to CryoEM. Alun Ashton, M. Basham.

 

Scheduled Time: 11:15 AM

Duration:45 Minutes

Near-atomic resolution CryoEM analysis of the Type III Secretion Injectisome. Natalie Strynadka.

 

 

 

2.1.5 Materials for a Sustainable Future

Chairs: Mario Wriedt & Fernando J. Uribe-Romo

Room: Provincial North

 

Scheduled Time: 9:00 AM

Duration:25 Minutes

In situ and operando structural analysis with high-energy X-rays at the Advanced Photon Source APS.Uta Ruett, Olaf Borkiewicz.

 

Scheduled Time: 9:25 AM

Duration:15 Minutes

Tunable Solid State Fluorescence in Isoreticular Metal Organic Frameworks. Wesley Newsome, Fernado Uribe-Romo.

 

Scheduled Time: 9:40 AM

Duration:20 Minutes

Understanding of Metal-Organic Frameworks through Mechanochemistry: From Experiment to Theory.Tomislav Friscic.

 

Scheduled Time: 10:30 AM

Duration:20 Minutes

MOF Vaccines—Decreasing the Dependency on Refrigerated Transport. Jeremiah Gassensmith.

 

Scheduled Time: 10:50 AM

Duration:15 Minutes

Metal-Organic Frameworks as Platforms for the Nanostructuration of Single Molecule Magnets: New Insights from HRTEM. Juby Varghese,Darpandeep Aulakh.

 

Scheduled Time: 11:05 AM

Duration:20 Minutes

Structure-property relationships in titanium-based metal-organic frameworks for the photocatalytic reduction of carbon dioxide. Fernando Uribe-Romo.

 

Scheduled Time: 11:25 AM

Duration:15 Minutes

Systematic Isoreticular Expansion of Titanium Metal-Organic Frameworks. Matthew Logan, Fernando  Uribe-Romo.

 

Scheduled Time: 11:40 AM

Duration:20 Minutes

Neutron Diffraction Study of Gas Adsorption and Separation in Metal-Organic Frameworks. Hui Wu.

 

 

2.2.1 Special Sessions in Honour of Richard E. Marsh

Chairs: Paul Boyle & Alexander Filatov

Room: Grand West

 

Scheduled Time: 1:30 PM

Duration:30 Minutes

Marsh, McLuhan and the Crystallographic Message. Larry Falvello.

 

Scheduled Time: 2:00 PM

Duration:30 Minutes

Program to Find and Characterize Commensurate Modulations in Molecular Crystals. Carolyn Brock, Robin Taylor.

 

Scheduled Time: 2:30 PM

Duration:30 Minutes

Using phases to determine the space group. George Sheldrick.

 

Scheduled Time: 3:30 PM

Duration:20 Minutes

Detecting errors and inconsistencies in the structure determination of pharmaceutical compounds: wrong structures, twinning, disorder and modulation. Graciela Diaz de Delgado, María Cecilia Dávila.

 

Scheduled Time: 3:50 PM

Duration:20 Minutes

Out of the Marsh and into the Swamp: Validation of Powder Structures. Jim Kaduk.

 

Scheduled Time: 4:10 PM

Duration:20 Minutes

Hypersymmetry Then and Now.Victor Young.

 

Scheduled Time: 4:30 PM

Duration:30 Minutes

The Inverse Marsh Error.Frank Fronczek.

 

 

 

2.2.2 New Advances in Fiber Diffraction

Chairs: J. Orgel & P. Langan

Room: Provincial South

 

Scheduled Time: 1:30 PM

Duration:45 Minutes

New Advances in Fiber Diffraction using Neutrons. Paul Langan.

 

Scheduled Time: 2:15 PM

Duration:45 Minutes

Contemporary and ancient tissues give modern insights into biomedical engineering. Joseph Orgel.

 

Scheduled Time: 3:30 PM

Duration:30 Minutes

MuscleX: A new tool for analyzing X-ray diffraction patterns from muscle and other fibrous systems. Thomas Irving, Jiranun Jiratrakanvong.

 

Scheduled Time: 4:00 PM

Duration:30 Minutes

Tension wood provides insight into structural changes in biomass resulting from chemical pretreatment.Volker Urban.

Scheduled Time: 4:30 PM

Duration:30 Minutes

Changes to the packing structure of type I collagen from non-enzymatic glycation. Rama Sashank Madhurapantula, Joseph Orgel.

 

 

2.2.3 General Interest - 1

Chairs: Carla Slebodnick & Soumya Remesh

Room: Grand East

 

Scheduled Time: 1:30 PM

Duration:15 Minutes

Removing residual bond density in organic molecules using simplified virtual atoms: a technical note.Alexander Nazarenko.

 

Scheduled Time: 1:45 PM

Duration:15 Minutes

Temperature Validation using the CSD Python API. Dean Johnston,Amy Sarjeant.

 

Scheduled Time: 2:00 PM

Duration:15 Minutes

Extending 3-Dimensional Printed Representations of Crystal Data: Printing Anisotropic Models and Assembling Structures Larger Then Your Print Tray. Matthew Brown, Ken Van Wieren.

 

Scheduled Time: 2:15 PM

Duration:15 Minutes

Investigating conformational landscapes through alternative cryocrystallographic approaches. Matt McLeod, Todd Holyoak.

 

Scheduled Time: 2:30 PM

Duration:15 Minutes

Enhancing high-throughput detection of protein nanocrystals. Sarah Bowman, Ellen Gualtieri.

 

Scheduled Time: 3:30 PM

Duration:15 Minutes

New Online Curriculum: The PDB Pipeline & Data Archiving. Catherine Lawson,Margaret Gabanyi.

 

Scheduled Time: 3:45 PM

Duration:15 Minutes

Finding novel pyrophosphate-dependent kinases based on their donor selectivity determinants revealed by crystal structures. Masahiro Fujihashi,Ryuhei Nagata.

 

Scheduled Time: 4:00 PM

Duration:15 Minutes

Hyper-Restraints: Improving Supercell Approximation Refinements of an Incommensurately Modulated Protein. Jeffrey Lovelace,Garib Murshudov.

 

Scheduled Time: 4:15 PM

Duration:15 Minutes

Fast, accurate X-ray density-driven ligand docking on the free energy surface using the MovableType method coupled with Phenix/DivCon. Lance Westerhoff.

 

Scheduled Time: 4:30 PM

Duration:15 Minutes

Template-directed assembly of short peptides into layered porous frameworks. Dmitriy Soldatov.

 

Scheduled Time: 4:45 PM

Duration:15 Minutes

Ice formation in protein crystals: effects of nanoconfinement. David Moreau, Hakan Atakisi.

 

 

 

2.2.4 Advances in Biological Cryo-Electron Microscopy 2

Chairs: Wah Chiu & Lori Passmore

Room: Grand Centre

 

Scheduled Time: 1:30 PM

Duration:45 Minutes

CryoEM snapshots of the spliceosome provide insights into the molecular mechanism of pre-mRNA splicing.Kiyoshi Nagai.

 

Scheduled Time: 2:15 PM

Duration:15 Minutes

Evaluation of models in the 2016 Cryo-EM Model Challenge. Andriy Kryshtafovych,Catherine Lawson.

 

Scheduled Time: 2:30 PM

Duration:30 Minutes

Molecular Therapy for 2.5-4Å Models:  Anecdotes and Progress from the CryoEM Model Challenge. Jane Richardson, Christopher Williams.

 

Scheduled Time: 3:30 PM

Duration:30 Minutes

Structures and Mechanisms of Transcription Initiation and Its Regulation. Xiaodong Zhang.

 

Scheduled Time: 4:00 PM

Duration:15 Minutes

Cryo EM structure of yeast U1 snRNP offers insight into alternative splicing. Rui Zhao, Xueni Li.

 

Scheduled Time: 4:15 PM

Duration:15 Minutes

Improving 3D reconstructions of macromolecular conformations. Javier Vargas,Moshen Kazemi.

 

Scheduled Time: 4:30 PM

Duration:15 Minutes

Explore Size and Resolution Limits with Conventional Cryo-EM. Gabriel Lander,Mark A. Herzik Jr.

 

 

2.2.5 The diverse world of materials chemistry: from deep space to titanium dioxide nanocomposites

Chairs: Ashfia Huq & Olaf Borkiewicz

Room: Provincial North

 

Scheduled Time: 1:30 PM

Duration:24 Minutes

Effect of addition of Lanthanum on the Hydrogen Storage Properties of TiFe Alloy. Md Alam, Pratibha Sharma.

 

Scheduled Time: 1:54 PM

Duration:22 Minutes

Infusible Nuclear Fuel Metamaterial for Deep Cosmic-Space Explorations. Boris Udovic.

 

Scheduled Time: 2:16 PM

Duration:22 Minutes

Growing mechanism and change of phase of synthesized CdSe nanoparticles. Janeth Sarmiento, Enrique Rosendo.

 

Scheduled Time: 3:30 PM

Duration:18 Minutes

Custom setup for organic crystal growth by vapor deposition. Georgii Bogdanov,Sergei Rigin.

 

Scheduled Time: 3:48 PM

Duration:18 Minutes

Volume isotope effect in benzene; the anisotropic thermal expansion of H/D and halogen-substituted benzene crystals. Dominic Fortes,Silvia Capelli.

 

Scheduled Time: 4:06 PM

Duration:18 Minutes

Combining experimental and computational techniques for polymorph screening. Dubravka Sisak Jung, Ivan Halasz.

 

Scheduled Time: 4:24 PM

Duration:18 Minutes

Computational analysis of charge-transfer crystalline complexes. Sergei Rigin, Georgii Bogdanov.

 

Scheduled Time: 4:42 AM

Duration:18 Minutes

New Layered Structures of Copper(II) and Silver(I) Salts of 4-Sulfobenzoic Acid. Philip Squattrito, Kelly Lambright.

 

 

2.3.1 Would You Publish This?

Chairs: Dannielle Gray,Jeff Burtke &

Room: Provincial North

 

Scheduled Time: 6:30 PM

Duration:15 Minutes

Don't throw good time after bad money. Louise Dawe, Amy Sarjeant.

 

Scheduled Time: 6:45 PM

Duration:15 Minutes

Whole Molecule Disorder in the Crystal Structures of 7-Chloro & 7-Methyl Indole. Joe Tanski.

 

Scheduled Time: 7:00 PM

Duration:15 Minutes

Challemging crystal structures of some iridium complexes: Disorder and twinning. Victor Young, Robert Sanner.

 

Scheduled Time: 7:15 PM

Duration:15 Minutes

Deformed thoughts on tetrahedral carbonates. Christine Beavers,Cara Vennari.

 

Scheduled Time: 7:30 PM

Duration:15 Minutes

Can we leave out the spaghetti?. Danielle Gray, Daniel Davies.

 

 


 

Monday, July 23rd                                                                                                                                                                                                          

Updated!

3.1.1 Structural Biology of Pathogens: Cellular Interactions, Drug Resistance, and Immune Responses - 1

Chairs: B.V.V. Prasad,Jean-Philippe Julien & Michael Becker

Room: Grand Centre

 

Scheduled Time: 9:05 AM

Duration:35 Minutes

Structural vaccinology for malaria: Host-pathogen interactions, broadly-neutralizing antibodies and immunogen design. Niraj Tolia, Edwin Chen.

 

Scheduled Time: 9:40 AM

Duration: 20 Minutes

Structural studies of human antibody responses against leading malaria vaccine antigen PfCSP. Stephen Scally.

 

Scheduled Time: 10:30 AM

Duration:30 Minutes

Structure-assisted Design of Universal Vaccines and Therapeutics against Influenza Virus. Ian Wilson.

 

Scheduled Time: 11:00 AM

Duration:15 Minutes

Structural characterization of adamantane-resistant mutants of the influenza M2 proton channel. Jessica Thomaston, William DeGrado.

 

Scheduled Time: 11:15 AM

Duration:30 Minutes

Active transport across the bacterial outer membrane: the Ton motor complex. Susan Buchanan.

 

Scheduled Time: 11:45 AM

Duration:15 Minutes

Structure and function of the SEDS:bPBP bacterial cell wall synthesis machinery. Megan Sjodt.

 

 

 

3.1.2 Best practices for building, refining, and analyzing ligands in macromolecular structures

Chairs: Anna Gardberg & Kurt Krause

Room: Grand West

 

Scheduled Time: 9:05 AM

Duration:25 Minutes

What to Do with Mistakes in the PDB: Resolving the Active Site of PYCR1. John Tanner.

 

Scheduled Time: 9:30 AM

Duration:30 Minutes

Ligand Validation for the Protein Data Bank. Stephen Burley.

 

Scheduled Time: 10:35 AM

Duration:30 Minutes

Ensuring accurate modeling in its electron density of a ligand bound to a therapeutic target in a high throughput environment: a review of best practices. Thierry Fischmann.

 

Scheduled Time: 11:05 AM

Duration:30 Minutes

Software Tools in Coot and CCP4 for Dictionaries and Validation of Ligands. Paul Emsley.

 

Scheduled Time: 11:35 AM

Duration:25 Minutes

Polder maps: Improving OMIT maps for ligand building and validation. Dorothee Liebschner.

 

 

3.1.3 Theoretical and Computational Crystallography - Present and Future Opportunities at the Structural Interface of Experiment and Theory

Chairs: Branton Campbell & Wenhao Sun

Room: Provincial North

 

Scheduled Time: 9:00 AM

Duration:30 Minutes

Insightful crystal-structure classification using deep learning. Angelo Ziletti, Matthias Scheffler.

 

Scheduled Time: 9:30 AM

Duration:30 Minutes

Periodic structures beyond sphere packings: net, knots, polyvatenanes and weavings. Michael O'Keeffe.

 

Scheduled Time: 10:30 AM

Duration:30 Minutes

Crystal Structure Prediction: From Topology to Geometry. Greg McColm.

 

Scheduled Time: 11:00 AM

Duration:20 Minutes

IDEAL - Invariom Derived Electron AnaLysis for APEX3. Michael Ruf.

 

Scheduled Time: 11:20 AM

Duration:20 Minutes

Adventures in diffraction - from atomic form factors to resolution of defects. Peter Khalifah.

 

Scheduled Time: 11:40 AM

Duration:20 Minutes

Aperiodic tilings, old and new -- an overflight. Shelomo Ben-Abraham.

 

 

 

3.1.4 Next Generation Sources/SAS @ New Sources

Chairs: Marjolein Thunnissen & Ray Sierra

Room: Grand East

 

Scheduled Time: 9:25 AM

Duration:25 Minutes

Synchrotron single-crystal diffraction for chemistry and materials: new developments. William Clegg.

 

Scheduled Time: 9:45 AM

Duration:20 Minutes

The rise of BioSAXS at the ESRF: BM29 Beamline for SAXS on Proteins in Solution. Petra Pernot, Martha Brennich.

 

Scheduled Time: 10:35 AM

Duration:20 Minutes

MetalJet Source for Time Resolved X- ray Diffraction and Scattering. Anasuya Adibhatla, Emil  Espes.

 

Scheduled Time: 10:55 AM

Duration:20 Minutes

MxDC, MxLIVE, and AutoProcess: Integrated User-friendly software for Synchrotron MX Beamlines. Kiran Mundboth.

 

Scheduled Time: 11:15 AM

Duration:20 Minutes

Time-resolved Serial Synchrotron Crystallography: an efficient interlacing system enables milliseconds to seconds time delays. Pedram Mehrabi,Eike  C. Schulz.

 

 

 

3.1.5 Crystallography at Extreme Conditions

Chairs: Camelia Stan,Cristine Beavers &

Room: Provincial South

 

Scheduled Time: 9:00 AM

Duration:15 Minutes

In-situ Synchrotron High Pressure Laser Heating Experiments. Emma Ehrenreich-Petersen, Camilla Hjort  Kronbo.

 

Scheduled Time: 9:15 AM

Duration:15 Minutes

Tunable Structural and Optoelectronic Properties of Methylammonium Lead Bromide Perovskite under Pressure. Weizhao Cai, Rong Zhang.

 

Scheduled Time: 9:30 AM

Duration:10 Minutes

Integrated solutions for most efficient in house high-pressure single crystal experiments.Martin Adam, Przemyslaw Dera.

 

Scheduled Time: 9:40 AM

Duration:20 Minutes

Are we prepared for "Big Data" in high pressure sciences?. Clemens Prescher.

 

Scheduled Time: 10:30 AM

Duration:20 Minutes

Real-Time Monitoring of Shock-Driven Phase Transitions with Synchrotron X-ray Diffraction. Patricia Kalita, Seth Root.

 

Scheduled Time: 10:50 AM

Duration:15 Minutes

New Non-Traditional Experimental Techniques to Study Materials at High Pressures. Matthew Whitaker, Melinda Rucks.

 

Scheduled Time: 11:05 AM

Duration:15 Minutes

High-Pressure and High Temperature Behavior of Datolite. Carla Slebodnick,Jing Zhao.

 

Scheduled Time: 11:20 AM

Duration:15 Minutes

Strain-rate and temperature effects on kinetics and phase transitions for albite and olivine. Melissa Sims, Melinda Rucks.

 

Scheduled Time: 11:35 AM

Duration:15 Minutes

Investigation of Tissintite Formation and Its Implications for Impact Studies. Melinda Rucks, Matthew Whitaker.

 

Scheduled Time: 11:50 AM

Duration:10 Minutes

High-Pressure/Temperature Behavior of the Alkali/Calcium Carbonate Shortite (Na2Ca2(CO3)3): Implications for Carbon Sequestration in the Deep Earth. Cara Vennari, Christin Beavers.

 

 

3.2.1 Structural Biology of Inherited Metabolic Disorders: Personalized Biochemistry and Biophysics

Chairs: Lesa Beamer & Jack Tanner

Room: Grand Centre

 

Scheduled Time: 1:30 PM

Duration:40 Minutes

From Structural Biology to Small Molecule Therapy for Inborn Errors of Metabolism. Wyatt Yue.

 

Scheduled Time: 2:10 PM

Duration:15 Minutes

Molecular mechanisms of enzyme dysfunction in PGM1 deficiency, an inherited metabolic disease.Kyle Stiers.

 

Scheduled Time: 2:25 PM

Duration:15 Minutes

Structure Analysis of Human Prolidase Mutations gives insight into the Prolidase Deficiency disease mechanisms. Piotr Wilk.

 

Scheduled Time: 2:40 PM

Duration:20 Minutes

Disequilibrium of porphobilinogen synthase assemblies accounts for ALAD porphyria. Eileen Jaffe.

 

Scheduled Time: 3:30 PM

Duration:40 Minutes

Structural and energetic insights into CF-causing mutations in CFTR. Julie Forman-Kay, Robert Vernon.

 

Scheduled Time: 4:10 PM

Duration:15 Minutes

Single-residue variants of phenylalanine hydroxylase help to observe multiple structural isoforms that comprise the structural equilibrium. Emilia C Arturo,Michael Riis Hansen.

 

Scheduled Time: 4:25 PM

Duration:15 Minutes

Pyruvate dehydrogenase complex deficiency disease is connected to regulatory loop disorder in the alphaV138M variant of human pyruvate dehydrogenase. Matthew Whitley, Palaniappa Arjunan.

 

Scheduled Time: 4:40 PM

Duration:15 Minutes

Leveraging Protein Structure and Dynamics for Variant Interpretation in Coding Regions. Mark Gerstein, Declan  Clarke.

 

 

 

3.2.2 Crystallization on the International Space Station

Chairs: Ken Savin,Marc Giulianotti &

Room: Grand West

 

Scheduled Time: 1:30 PM

Duration:15 Minutes

CASIS Perspective on the Use of the International Space Station National Laboratory for Crystallization Experiments. Marc Giulianotti,Ken  Savin.

 

Scheduled Time: 1:45 PM

Duration:20 Minutes

Microgravity protein crystal growth for x-ray and neutron crystallography: What works and what would not!. Joseph Ng, James K. Baird.

 

Scheduled Time: 2:05 PM

Duration:20 Minutes

Microgravity Biologics Crystallization Processes. Paul Reichert.

 

Scheduled Time: 2:25 PM

Duration:20 Minutes

Inorganic salt crystallizations by thermal gradient technique. Ilia Guzei, April Spinale.

 

Scheduled Time: 3:40 PM

Duration:20 Minutes

Measure and Might of the MiTeGen In Situ-1™ Crystallization Plate for Microgravity Protein Crystal Growth. Kristofer Gonzalez-DeWhitt.

 

Scheduled Time: 4:00 PM

Duration:20 Minutes

Crystal Growth in Microgravity for Neutron Diffraction Studies. Timothy Mueser.

 

Scheduled Time: 4:20 PM

Duration:20 Minutes

Growth of Large, Perfect Crystals of Human MnSOD for Neutron Crystallography. Gloria Borgstahl.

 

Scheduled Time: 4:40 PM

Duration:20 Minutes

A simple crystallization device for growing large protein crystals. Hiroaki Tanaka, Sachiko Takahashi.

 

 

3.2.3 Theoretical and Computational Crystallography - Present and Future Opportunities at the Structural Interface of Experiment and Theory

Chairs: Peter Khalifah & Wenhao Sun

Room: Provincial North

 

Scheduled Time: 1:30 PM

Duration:30 Minutes

Machine Learning and Materials Discovery*. Gus Hart.

 

Scheduled Time: 2:00 PM

Duration:20 Minutes

Some theoretical and computational aspects of nanocluster structure solution. Simon Billinge.

 

Scheduled Time: 2:40 PM

Duration:20 Minutes

Search-match tool for atomic pair distribution functions and Crystallography Open Database. Pavol Juhas, Line Pouchard.

 

Scheduled Time: 3:30 PM

Duration:30 Minutes

Crystal structure prediction in novel nitrides: The roles of metastability and disorder. Stephan Lany.

 

Scheduled Time: 4:00 PM

Duration:15 Minutes

Quantifying local environment and structural similarity through order parameter-based site fingerprints and their application to machine learning. Nils Edvin Richard Zimmermann, Anubhav Jain.

 

Scheduled Time: 4:15 PM

Duration:15 Minutes

Theoretical prediction of 5,5'-bistetrazole-1,1'-diolate (TKX-50) crystal structure. Xuehai Ju.

 

Scheduled Time: 4:30 PM

Duration:15 Minutes

Theoretical Study of the Electronic Structure and Stability of Titanium Dioxide Clusters (TiO2)n with n=18, 28, and 38. Tania Gabriela Diaz Rodriguez, Gabriela Stephania  Anaya González.

 

Scheduled Time: 4:45 PM

Duration:15 Minutes

Computational investigation of Poisson's ratio and its relationship to crystal structure. John Dagdelen, Joseph Montoya.

 

 

3.2.4 Scattering Strategies in Biomembrane Research

Chairs: Frederick Heberle, Drew Marquardt & Maikel Rheinstadter

Room: Grand East

 

Scheduled Time: 1:30 PM

Duration:40 Minutes

From collective fluctuations to the mechanical properties of model biological membranes using neutron spin echo spectroscopy. Michihiro Nagao,Elizabeth Kelley.

 

Scheduled Time: 2:10 PM

Duration:15 Minutes

The Physical Presence of Vitamin E in Lipid Membranes. Mitchell DiPasquale,Michael H.L. Nguyen.

 

Scheduled Time: 2:25 PM

Duration:20 Minutes

Determining the transbilayer structure of asymmetric bilayer membranes using small-angle scattering. Frederick Heberle.

 

Scheduled Time: 2:45 PM

Duration:15 Minutes

Revealing the Hidden Relationship Between Pore-Forming Proteins and Biomembranes. Michael Nguyen.

 

Scheduled Time: 3:30 PM

Duration:40 Minutes

Nanoscopic Domains in Model and Bacterial Membranes. John Katsaras.

 

Scheduled Time: 4:10 PM

Duration:15 Minutes

Characterization of Self Assembled Hybrid Siloxane-phosphocholine Bilayers. Brett Rickeard, Mark Frampton.

 

Scheduled Time: 4:25 PM

Duration:15 Minutes

X-ray and Neutron Scattering for Health and Disease. Maikel Rheinstadter.

 

Scheduled Time: 4:40 PM

Duration:20 Minutes

Neutron Spin Echo Detects Effects of the pH-Low Insertion Peptide on Membrane Thickness Fluctuations.Haden Scott, Rana Ashkar.

 

 

3.2.5 Mineralogical Crystallography

Chairs: Nichole Valdez & Aaron Celestain

Room: Provincial South

 

Scheduled Time: 1:30 PM

Duration:30 Minutes

The intriguing crystal structure of the rhabdophane mineral LnPO4.nH2O. Adel Mesbah, Nicolas Clavier.

 

Scheduled Time: 2:00 PM

Duration:20 Minutes

A structure hierarchy for chain-, ribbon- and tube-silicate minerals: a bond topological approach. Maxwell Day, Frank C. Hawthorne.

 

Scheduled Time: 2:20 PM

Duration:20 Minutes

Structural Distortions in Th-rich Fluorapatite. Joseph Chappell,John Rakovan.

 

Scheduled Time: 2:40 PM

Duration:20 Minutes

High-Pressure Structural and Equation of State Study of Xenotime. Nancy Ross, Jing Zhao.

 

Scheduled Time: 3:30 PM

Duration:30 Minutes

Data-mined ion substitutions in crystals: Reassessment of Goldschmidt's rules of ion substitution. Olivier Gagné, Robert M. Hazen.

 

Scheduled Time: 4:00 PM

Duration:20 Minutes

The Gandolfi Stage: A Novel Approach for the Analysis of Single Crystals and Small Volume Samples.Gregory Schmidt.

 

Scheduled Time: 4:20 PM

Duration:20 Minutes

Understanding the formation of polytypism in natural moissanite with Laue microdiffraction. Camelia Stan, Earl O'Bannon.

 

Scheduled Time: 4:40 PM

Duration:20 Minutes

Stacking faulted crystal structures can require correlation coefficients in their modelling. Alan David Rae.

 

 

3.3.1 Diversity & Inclusivity

Chairs: Bernard Santarsiero

Room: Provincial North

 

Scheduled Time: 6:35 PM

Duration:40 Minutes

NSF Improving Undergraduate STEM Education (IUSE) for Hispanic-Serving Institutions (HSI). Talitha Washington.

 

Scheduled Time: 7:15 PM

Duration:40 Minutes

The Alliance for Diversity in Science and Engineering: Empowering graduate students. Steven Lopez.

 


 

Tuesday, July 23rd                                                                                                                                                                                                                                                       

 

4.1.1 Structural Biology of Pathogens: Cellular Interactions, Drug Resistance, and Immune Responses

Chairs: B.V.V. Prasad,Jean-Philippe Julien & Michael Becker

Room: Grand Centre

 

Scheduled Time: 9:00 AM

Duration:30 Minutes

Structural and Mechanistic Basis for Drug Resistance Mutations in Altering the Specificity of CTX-M beta-lactamases. Timothy Palzkill.

 

Scheduled Time: 9:30 AM

Duration:15 Minutes

Cholera Toxin: Molecular Mechanisms and Drug Design. Ute Krengel, Ute Krengel.

 

Scheduled Time: 9:45 AM

Duration:15 Minutes

Structural basis of glycan specificity in human rotaviruses. Liya Hu.

 

Scheduled Time: 10:30 AM

Duration:30 Minutes

Microbial biofilms: Molecular mechanisms to potential therapeutics. Lynne Howell.

 

Scheduled Time: 11:00 AM

Duration:15 Minutes

Structural Insight Into a Heme Relay from Human Hemoglobin to SbnI, a Regulator of Siderophore Biosynthesis in S. aureus. Michael Murphy,Anson Chan.

 

Scheduled Time: 11:15 AM

Duration:30 Minutes

Structural Basis for Antagonism of Bacterial LPS Transport. Christopher Koth,Hoangdung Ho.

 

Scheduled Time: 11:45 AM

Duration:15 Minutes

Structure of a Lipid-bound Viral Membrane Assembly Protein Reveals a Novel Modality for Interacting with Lipid Bilayer. Shuxia Peng.

 

 

4.1.2 Minding the Gap: MX to XFEL / Open Science

Chairs: Jenifer Wierman & Ana Gonzalez

Room: Provincial North

 

Scheduled Time: 9:00 AM

Duration:20 Minutes

Sample Manipulation and Data Assembly for Robust Microcrystal Synchrotron Crystallography. Qun Liu.

 

Scheduled Time: 9:20 AM

Duration:20 Minutes

Metalloprotein Oxidation States Spatially Resolved by Anomalous Dispersion Crystallography. Nicholas Sauter, James Holton.

 

Scheduled Time: 9:40 AM

Duration:25 Minutes

What dose DOES a micro-crystal really absorb?. Elspeth Garman,Charles Bury.

 

Scheduled Time: 10:35 AM

Duration:25 Minutes

New Opportunities for Structural Biology Research at LCLS and SSRL. Aina Cohen.

 

Scheduled Time: 11:00 AM

Duration:20 Minutes

A High-Throughput Serial Crystallography Beamline at CHESS. Doletha Szebenyi,Aaron Finke.

 

Scheduled Time: 11:20 AM

Duration:20 Minutes

Fixed-targets Serial crystallography at SPring-8 and Sacla. Masaki Yamamoto,Kazuya Hasegawa.

 

Scheduled Time: 11:40 AM

Duration:20 Minutes

Improving  Unit-Cell Distance Algorithms for Clustering MX images.Herbert J. Bernstein, Lawrence C. Andrews.

 

 

4.1.3 Cool Structures

Chairs: Shao-Liang Zheng & SuYin Grass Wang

Room: Grand West

 

Scheduled Time: 9:00 AM

Duration:20 Minutes

Packing polymorphs and high Z' structures obtained by different crystallization conditions. Tatiana Timofeeva.

 

Scheduled Time: 9:20 AM

Duration:20 Minutes

Mixed-Valence Copper Cyanide Polymers - Successes, Surprises and Disappointments. Peter Corfield, Joseph Dayrit.

 

Scheduled Time: 9:40 AM

Duration:20 Minutes

Exploring the coordination chemistry of imidoyl amidine ligands with first row transition metals.Raúl Castañeda, Bulat Gabidullin .

 

Scheduled Time: 10:30 AM

Duration:20 Minutes

The missing link: first successful structural analysis of 2-ethylimidazole, a ZIF linker. Stacey Smith.

 

Scheduled Time: 10:50 AM

Duration:20 Minutes

Structure of a 1.5-MDa bacterial adhesin reveals its role in the mixed-species biofilm formation with diatoms on ice. Shuaiqi Guo, Ilja Voets.

 

Scheduled Time: 11:10 AM

Duration:20 Minutes

Crystal structures of the RLPH2 protein phosphatase from Arabidopsis thaliana reveal a novel mechanism for recognizing dually phosphorylated substrates. Kenneth Ng, Anne-Marie Labandera.

 

Scheduled Time: 11:30 AM

Duration:15 Minutes

In vivo carrier-driven crystallization for novel structural determinations. Kyle McDade.

 

Scheduled Time: 11:45 AM

Duration:15 Minutes

Structure of the human Fe-S cluster assembly sub-complex: implications in Friedreich's ataxia and primary metabolism. Seth Cory.

 

 

4.1.4 Application of SAS to Complex Mixtures

Chairs: Thomas Weiss & Nigel Kirby

Room: Grand East

 

Scheduled Time: 9:00 AM

Duration:30 Minutes

Better Data with SEC-SAXS.Thomas Wiess, Tsutomu Matsui.

 

Scheduled Time: 9:30 AM

Duration:30 Minutes

Characterizing solution dynamics of highly flexible enzymes. Maxwell Watkins,Hao Li.

 

Scheduled Time: 10:30 AM

Duration:20 Minutes

Alpha-catenin structure in solution and in complex with F-actin as revealed by small angle X-ray and neutron scattering study. Zimei Bu.

 

Scheduled Time: 10:50 AM

Duration:20 Minutes

SEC-SAXS studies of double-stranded RNAs from trypanosome RNA editing. Blaine Mooers, Tsutomu Matsui.

 

Scheduled Time: 11:10 AM

Duration:20 Minutes

Coflow SEC-SAXS at High Flux. Nigel Kirby, Tim Ryan.

 

Scheduled Time: 11:30 AM

Duration:30 Minutes

The Small-Angle Scattering and HPLC-SAXS modules of the US-SOMO software suite. Mattia Rocco, Javier Pérez.

 

 

 

4.1.5 Operando & In-Situ Studies

Chairs: Wenqian Xu & Sanjit Ghose

Room: Provincial South

 

Scheduled Time: 9:00 AM

Duration:20 Minutes

Observing Crystallization Pathways In situ. Michael Toney.

 

Scheduled Time: 9:20 AM

Duration:20 Minutes

Operando In-Situ Microstructure & Structure Studies of Transformations in Advanced Materials. Andrew Allen, Fan Zhang.

 

Scheduled Time: 9:40 AM

Duration:20 Minutes

Real time data collection in multidimensional diffraction and parameter spaces. Xiaoping Wang.

 

Scheduled Time: 10:30 AM

Duration:20 Minutes

Measurement and Analysis of in operando / situ Lithium-Ion battery data on a XRPD laboratory diffractometer. Thomas Degen, Milen Gateshki.

 

Scheduled Time: 10:50 AM

Duration:20 Minutes

Probing the Electrode-Electrolyte Interface with In-Operando Neutron Scattering. Craig Bridges, Charl Jafta.

 

Scheduled Time: 11:10 AM

Duration:20 Minutes

Understanding the role of chemical inhibitors to the deposition of wax from crude oil. Thomas Fitzgibbons, Larisa Reyes.

 

Scheduled Time: 11:30 AM

Duration:15 Minutes

In-situ visualization of loading-dependent water effects in a stable metal-organic framework. Nicholas Burtch.

 

Scheduled Time: 11:45 AM

Duration:15 Minutes

Search for new phases using in-situ reduction technique in the K-Sn-O System. Rebecca McAuliffe, Daniel Shoemaker.

 

 

4.2.1 Regulation of Protein Function by Shape Shifting

Chairs: Erica O Saphire,Emilia C Arturo & Eileen K. Jaffe

Room: Grand Centre

 

Scheduled Time: 1:40 PM

Duration:15 Minutes

Structural Transformation Begets Multiple Functions in the Viral Life Cycle. Michael Norris.

 

Scheduled Time: 1:55 PM

Duration:20 Minutes

Shape Shifting in Apoptosis-Inducing Factor Allostery and Interactions: Switching between Oxidative Phosphorylation and Cell Death. John Tainer & Chris Brosey.

 

Scheduled Time: 2:15 PM

Duration:20 Minutes

Conformational changes in the peptidoglycan synthase activator LpoA are likely important for maintaining a viable cell wall in Gram-negative bacteria. Mark Saper & Karthik Sathiyamoorthy.

 

Scheduled Time: 2:35 PM

Duration:25 Minutes

Another piece of the jigsaw: a new signaling axis defined by shape-specific RNR-α hexamers. Yimon Aye.

 

Scheduled Time: 3:30 PM

Duration:20 Minutes

Investigating the dynamic and complex oligomeric states of aldehyde dehydrogenase 7A1. David Korasick & Jack Tanner.

 

Scheduled Time: 3:50 PM

Duration:25 Minutes

Hierarchical structures of HIV Integrase: Drug-induced Aggregates of HIV Integrase are Weak Gels.Kushol Gupta.

 

Scheduled Time: 4:15 PM

Duration:25 Minutes

Regulation of Morpheein Behavior in B. cenocepacia HMG-CoA Reductase. Jeff Watson & Chad Hicks.

 

Scheduled Time: 4:40 PM

Duration:20 Minutes

A Novel Form of Allosteric Regulation in Bacillus subtilis Ribonucleotide Reductase Revealed by SAXS and Cryo-Electron Microscopy. William Thomas & Frederick Brooks.

 

 

4.2.2 General Interest - 2

Chairs: Michael Takase & Laura Van Staalduinen

Room: Grand East

 

Scheduled Time: 1:30 PM

Duration:15 Minutes

Antibody Fab Fragments and their Crystal Organization. Travis Gallagher & Loannis Karageorgos.

 

Scheduled Time: 1:45 PM

Duration:15 Minutes

Protein Tag Mediated Fusion Protein Crystallization. Tengchuan Jin.

 

Scheduled Time: 2:00 PM

Duration:15 Minutes

New structural insight into HMG-CoA reductase mechanism and cofactor specificity. Yan Kung & Bradley Miller.

 

Scheduled Time: 2:15 PM

Duration:15 Minutes

Texture Analysis of Polycrystalline Vaterite Spherulites. Bryan Chakoumakos & Brenda Pracheil.

 

Scheduled Time: 2:30 PM

Duration:15 Minutes

Structural Metamorphosis of the Fe(III) Gallate - a Historical Iron Gall Ink. Peter Y. Zavalij.

 

Scheduled Time: 2:45 PM

Duration:15 Minutes

Structural Chemistry of Azulenes. Nick Gerasimchuk & Mikhail Barybin.

 

Scheduled Time: 3:30 PM

Duration:15 Minutes

A Proposal for a Substrate - Assisted Catalytic Mechanism for Serine Peptidases. Michael N. James & Jiang Yin.

 

Scheduled Time: 3:45 PM

Duration:15 Minutes

Crystal structure of a 6.5 MDa bacterial microcompartment shell. Markus Sutter.

 

Scheduled Time: 4:00 PM

Duration:15 Minutes

Analysis of crystallographic structures and DFT calculations reveal a new structural arrangement in proteins involving lysine NH3+ group and carbonyl. Nikolai R. Skrynnikov & Sergei A. Izmailov.

 

Scheduled Time: 4:15 PM

Duration:15 Minutes

Metalloprotein Plasticity: Cautionary Tales. Nicholas Schnicker.

 

Scheduled Time: 4:30 PM

Duration:15 Minutes

Atomic Insights into the Genesis of Cellular Filaments by Globular Proteins. Michael Sawaya & Laura McPartland.

 

Scheduled Time: 4:45 PM

Duration:15 Minutes

Charge Density: The Devil is in the Details. Bruce C. Noll &Holger Ott.

 

 

4.2.3 Engaging Undergrads with Crystallographic Research

Chairs: Joe Tanski & Rachel Powers

Room: Provincial North

 

Scheduled Time: 1:35 PM

Duration:20 Minutes

Illustrating Key Concepts: Introducing Small Molecule Crystallography to Chemistry Undergraduates.Shao-Liang Zheng.

 

Scheduled Time: 1:55 PM

Duration:20 Minutes

Mechanochemical Reactions and X-ray Powder Diffraction as a Teaching Tool. Karl Hagen.

 

Scheduled Time: 2:15 PM

Duration:20 Minutes

Critical Mass: Organic-Organometallic Collaboration at the largest PUI. John Bender & Shannon Biros.

 

Scheduled Time: 2:35 PM

Duration:25 Minutes

Pursuit of a NSF-MRI Funded Small-Molecule Single-Crystal X-ray Diffractometer at a PUI. Kraig Wheeler.

 

Scheduled Time: 3:30 PM

Duration:20 Minutes

Establishing a New Protein X-ray Crystallography Research Group at a PUI. Krystle McLaughlin.

 

Scheduled Time: 3:50 PM

Duration:20 Minutes

Everything Solid-State in Three Weeks: CHEM296 in January Term 2018. William Ojala.

 

Scheduled Time: 4:10 PM

Duration:20 Minutes

Engaging Undergraduates in Crystallographic Research: "Structure of the Yersinia pestis UDP-glucose-1-phosphate uridylyltransferase". George Lountos & Morgan Gibbs.

 

Scheduled Time: 4:30 PM

Duration:25 Minutes

A Scaffolded Approach to the Integration of Crystallography in Undergraduate Curriculum and Research.Louise Dawe.

 

 

4.2.4 Powder Diffraction of Industrial and Pharmaceutical Materials

Chairs: Silvina Pagola & Jim Kadak

Room: Grand West

 

Scheduled Time: 1:30 PM

Duration:22 Minutes

The Powder Diffraction Mail-In Program at the Canadian Light Source: A Useful Tool for Industrial and Basic Research. Joel Reid.

 

Scheduled Time: 1:52 PM

Duration:23 Minutes

Crystal Structures of Large-Volume Commercial Pharmaceuticals. Jim Kaduk.

 

Scheduled Time: 2:15 PM

Duration:22 Minutes

Incorporation of Pharmaceutical API's into the PDF® Databases. Amy Gindhart &Tom Blanton.

 

Scheduled Time: 2:37 PM

Duration:23 Minutes

Applications of X-ray Powder Diffraction in Pharmaceutical Industry. Rajni Bhardwaj.

 

Scheduled Time: 3:30 PM

Duration:22 Minutes

WinPSSP: a free-distribution software for the crystal structure determination of organics from powders. Silvina Pagola.

 

Scheduled Time: 3:52 PM

Duration:23 Minutes

Real-time monitoring of mechanochemical formation of pharmaceutical cocrystals using synchrotron X-ray diffraction. Luzia S. Germann & Mihails Arhangelskis.

 

Scheduled Time: 4:15 PM

Duration:22 Minutes

A New Malaria Pigment Structural Motif and Potential Drug Target. Peter Stephens.

 

Scheduled Time: 4:37 PM

Duration:23 Minutes

Improved crystal structure solution from powder diffraction data by the use of conformational information. Elena Kabova.



4.2.5 Crystallography in Synergy with Computation, Spectroscopy and Synthesis

Chairs: Larry Falvello & Alberto Albinati

Room: Provincial South

 

Scheduled Time: 1:30 PM

Duration:15 Minutes

DFT Study of the Effect of Pressure on Framework Materials Including ZIF-8 and Inorganic zeolites. Wenlin Chen & Nancy Ross.

 

Scheduled Time: 1:45 PM

Duration:15 Minutes

Synthesis, Characterisation, and Mesomorphic Properties of Some Novel Dicyanoheteropentacenes. Lana Hiscock & Louise Dawe.

 

Scheduled Time: 2:00 PM

Duration:20 Minutes

Discovery of the Third Ambient Aspirin Polymorph. Chunhua Tony Hu &Alexander G. Shtukenberg.

 

Scheduled Time: 2:20 PM

Duration:20 Minutes

Synthesis of a family of Pt-Ag clusters: Ligands, solvents, unit cells and crystal quality. Milagros Tomás & Irene Ara.

 

Scheduled Time: 2:40 PM

Duration:20 Minutes

From Crystal Structures to Rotational Excitations of Bound H2 by Computer Simulations. Juergen Eckert.

 

Scheduled Time: 3:30 PM

Duration:15 Minutes

Porous Framework Materials for Gas Separation: Mechanistic Investigation by Combining Neutron Crystallography and Computational Modeling. Wei Zhou.

 

Scheduled Time: 3:45 PM

Duration:15 Minutes

X-Ray Diffraction and Computational Studies of a Series of Aryl Amides: Comparisons Between Molecular Structure in the Crystal State and in Isolation. Wayne Pearson & Joseph Urban.

 

Scheduled Time: 4:00 PM

Duration:20 Minutes

Enantiomeric resolution of helicochiral paddlewheel complexes and their infrared, Raman, UV-vis and X-ray optical activity. Elizabeth Hillard &Thierry Buffeteau.

 

Scheduled Time: 4:20 PM

Duration:20 Minutes

Before and After: Can we predict and/or understand an observed twin law using extant tools and a look at plausible composition planes?. Bruce Foxman &Victor Young.

 

Scheduled Time: 4:40 PM

Duration:20 Minutes

How Crystallography in Synergy with Spectroscopy and Computation Catalyzed a Career in Chemical Crystallography. Joel Bernstein.