2018 Scientific Program Schedule

[Tentative & Subject to Change]

 

FRIDAY, JULY 20TH

FRI 7/20

WK

To Be Announced Soon!

 

 

 

FRI 7/20

WK

To Be Announced Soon!

 

 

 

FRI 7/20

WK

To Be Announced Soon!

 

 

 

FRI 7/20

 

First Time Attendee & Student Meeting Orientation

 

YS

 

FRI 7/20

 

Opening Ceremony & Lecture

 

 

 

FRI 7/20

 

Opening Reception & Exhibit Show

 

 

 

SATURDAY JULY 21ST

SAT 7/21

T1

Transactions 1 - Shining a Light on Structure-Based Drug Design

 

 

Steve Sossion: stephen_soisson@merck.com

 

SAT 7/21

PP1

Poster Preview

YS

 

 

SAT 7/21

TMT1

3-Minute Thesis

 

YS

 

SAT 7/21

1.1.1

Closing the R-Factor Gap in Protein Crystallography

BM

CD

James Holton: jmholton@lbl.gov

Robert Thorne: ret6@cornell.edu

 

SAT 7/21

1.1.2

Structural biology of nucleic acids and protein-nucleic acid complexes 

BM

SAS

LS

YS

 

Joseph E. Wedekind: joseph.wedekind@gmail.com

Rui Zhao: rui.zhao@ucdenver.edu

Aaron Robart: aaron.robart@hsc.wvu.edu

 

SAT 7/21

1.1.3

Dynamic Crystals as Molecular Materials

SM

M

YS

CD

 

Dmitriy V. Soldatov: soldatov@uoguelph.ca

Louise Dawe: ldawe@wlu.ca

 

SAT 7/21

1.1.4

Neutron and X-ray Scattering of Correlated and Quantum Materials

NMP

 

J.E. Greedan: greedan@mcmaster.ca

Craig Bridges: bridgesca@ornl.gov

 

SAT 7/21

T2

Transactions 2 - Shining a Light on Structure-Based Drug Design

 

 

Steve Sossion: stephen_soisson@merck.com

 

SAT 7/21

1.2.1

Structural Dynamics - In honour of Phil Coppens

SS

CD

 

Yu-Sheng Chen: yschen@cars.uchicago.edu

Jason Benedict: jbb6@buffalo.edu

 

SAT 7/21

1.2.2

Hybrid Techniques

LS

 

Nozomi Ando: nozomi.ando@princeton.edu

Srinivas Chakravarti: schakrav@bio.aps.anl.gov

 

SAT 7/21

1.2.3

Neutrons as Complimentary Probes for Crystals and Scattering

BM

LS

 

Leighton Coats: coatesl@ornl.gov

Gloria Borgstsal: gborgstahl@unmc.edu

 

SAT 7/21

1.2.4

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

NMP

NA

 

Jing Tao: jtao@bnl.gov

Albina Borisovich:  albinab@ornl.gov

 

SAT 7/21

1.3.1

Career Development

YS

 

René Coulombe: rene.coulombe@inixium.com

SAT 7/21

PS1

Poster Session 1

 

Louise Dawe: ldawe@wlu.ca

David Rose: drrose@uwaterloo.ca

 

SAT 7/21

TMT2

3-Minute Thesis Finals

YS

 

 

SUNDAY, JULY 22ND

SUN 7/22

PL1

Warren Award Lecture - Simon Billinge

 

 

Lisa Keefe: keefe@imca-cat.org

SUN 7/22

2.1.1

Special Sessions in Honour of Richard E. Marsh (1)

SS

CD

 

Louise Dawe: ldawe@wlu.ca

Mike Takase: mktakase@caltech.edu

 

SUN 7/22

2.1.2

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

IS

 

Matthew Clifton: matthew.clifton@gmail.com

Jan Abendroth: jabendroth@be4.com

 

SUN 7/22

2.1.3

NMR Crystallography

SM

NMP

 

Manish Mehta: mmehta@oberlin.edu

Tomislav Friscic: tomislav.friscic@mcgill.ca

SUN 7/22

2.1.4

Advances in Biological Cryo-Electron Microscopy 1

BM

LS

 

Wah Chiu: wah@bcm.edu

Lori Passmore: passmore@mrc-lmb.cam.ac.uk

 

SUN 7/22

2.1.5

Materials for a Sustainable Future

NMP

 

Mario Wriedt: mwriedt@clarkson.edu

Fernando J. Uribe-Romo: fernando@ucf.edu

 

SUN 7/22

2.2.1

Special Sessions in Honour of Richard E. Marsh (2)

SS

CD

 

Paul Boyle: pboyle@uwo.ca

Alexander Filatov: afilatov@uchicago.edu

 

SUN 7/22

2.2.2

New Advances in Fiber Diffraction

FD

NMP

 

J. Orgel: orgel@iit.edu

P. Langan: langanpa@ornl.gov

 

SUN 7/22

2.2.3

General Interest 1

GIG

YS

 

Carla Slebodnick: slebod@vt.edu

Soumya Remesh: sgremesh@lbl.gov

 

SUN 7/22

2.2.4

Advances in Biological Cryo-Electron Microscopy 2

BM

 

Wah Chiu: wah@bcm.edu

Lori Passmore: passmore@mrc-lmb.cam.ac.uk

 

SUN 7/22

2.2.5

Materials for Energy Conversion & Storage

NMP

 

Ashfia Huq: huqa@ornl.gov

Olaf Borkiewicz: borkiewicz@aps.anl.gov

 

SUN 7/22

2.3.1

Would You Publish This?

SS

SM

 

Dannielle Gray: dgray@illinois.edu

Jeff Burtke:  jb2667@georgetown.edu

 

SUN 7/22

PS2

Poster Session 2

 

Louise Dawe: ldawe@wlu.ca

David Rose: drrose@uwaterloo.ca

 

SUN 7/22

NM

Networking Mixer

 

 

 

MONDAY, JULY 23RD

MON 7/23

PL2

Beurger Award Lecture - Frank Hawthorne

 

 

Lisa Keefe: keefe@imca-cat.org

MON 7/23

3.1.1

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

 

BM

CD

LS

B.V.V. Prasad: vprasad@bcm.edu

Jean-Philippe Julien: jean-philippe.julien@sickkids.ca

Michael Becker: mbecker@anl.gov

David Rose: drrose@uwaterloo.ca

MON 7/23

3.1.2

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

BM

IS

 

Anna Gardberg: anna.s.gardberg@gmail.com

Kurt Krause: kurt.krause@otago.ac.nz

 

MON 7/23

3.1.3

Theoretical and Computational Crystallography - Present and Future Opportunities at the Structural Interface of Experiment and Theory 1

 

NMP

 

Branton Campbell: branton_campbell@byu.edu

Greg McColm: mccolm@usf.edu

 

MON 7/23

3.1.4

Next Generation Sources/SAS @ New Sources

LS

SAS

 

Marjolein Thunnissen: marjolein.thunnissen@maxiv.lu.se

Ray Sierra : rsierra@slac.stanford.edu   

 

MON 7/23

3.1.5

Crystallography at Extreme Conditions

SM

GIG

NMP

LS

 

Camelia Stan: cstan@lbl.gov

Cristine Beavers: cmbeavers@lbl.gov

 

MON 7/23

URS

Undergrad Research Symposium

 

 

 

MON 7/23

3.2.1

Structural Biology of Inherited Metabolic Disorders: Personalized Biochemistry and Biophysics

BM

 

Lesa Beamer: BeamerL@missouri.edu

Jack Tanner: TannerJJ@missouri.edu

 

MON 7/23

3.2.2

Crystallization on the International Space Station

GIG

ISS

SM

YS

 

Ken Savin: ksavin@iss-casis.org

Marc Giulianotti: mgiulianotti@iss-casis.org

 

MON 7/23

3.2.3

Theoretical and Computational Crystallography - Present and Future Opportunities at the Structural Interface of Experiment and Theory 2

 

NMP

 

Peter Khalifah: peter.khalifah@stonybrook.edu

Wenhao Sun: wenhaosun@lbl.gov

 

MON 7/23

3.2.4

Scattering Strategies in Biomembrane Research

SAS

N

CD

Frederick Heberle: heberlefa@ornl.gov

Drew Marquardt: drew.marquardt@ornl.gov

Maikel Rheinstadter: rheinstadter@mcmaster.ca

 

MON 7/23

3.2.5

Mineralogical Crystallography

SM

NMP

CD

 

Nichole Valdez: vald2292@vandals.uidaho.edu

Aaron Celestain: aaron.celestian@gmail.com

 

MON 7/23

AMBM

All Members Business Meeting

 

 

 

MON 7/23

3.3.1

Diversity & Inclusivity

YS

IS

CD

 

Bernard Santarsiero: bds@uic.edu

 

MON 7/23

PS3

Poster Session 3

 

Louise Dawe: ldawe@wlu.ca

David Rose: drrose@uwaterloo.ca

 

TUESDAY, JULY 24TH

TUES 7/24

PL3

Etter Award Lecture - Jason McLellan

 

Lisa Keefe: keefe@imca-cat.org

 

TUES 7/24

4.1.1

Structural Biology of Pathogens and Drug Resistance 2

BM

CD

B.V.V. Prasad: vprasad@bcm.edu

Jean-Philippe Julien: jean-philippe.julien@sickkids.ca

Michael Becker: mbecker@anl.gov

David Rose: drrose@uwaterloo.ca

 

TUES 7/24

4.1.2

Minding the Gap: MX to XFEL / Open Science

LS

YS

CD

 

Jenifer Wierman: jlw352@cornell.edu

Ana Gonzalez: ana@slac.stanford.edu

TUES 7/24

4.1.3

Cool Structures

SM

SS

 

Shao-Liang Zheng: zheng@chemistry.harvard.edu

SuYin Grass: yschen@cars.uchicago.edu

 

TUES 7/24

4.1.4

Application of SAS to Complex Mixtures

SAS

 

Thomas Weiss: weiss@slac.stanford.edu

Nigel Kirby: nigel.kirby@synchrotron.org.au

 

TUES 7/24

4.1.5

Operando & In-Situ Studies

NMP

 

Wenqian Xu: wenqianxu@aps.anl.gov

Sanjit Ghose: sghose@bnl.gov

 

TUES 7/24

4.2.1

Multi-Structural Proteins

BM

SAS

 

Erica O Saphire: erica@scripps.edu

Emilia C Arturo: eca38@drexel.edu

 

TUES 7/24

4.2.2

General Interest 2

GIG

YS

 

Michael Takase: mktakase@caltech.edu

Laura Van Staalduinen: 0lmd1@queensu.ca

 

TUES 7/24

4.2.3

Engaging Undergrads with Crystallographic Research

GIG

 

Joe Tanski: jotanski@vassar.edu

Rachel Powers: powersra@gvsu.edu

 

TUES 7/24

4.2.4

Powder Diffraction of Industrial and Pharmaceutical Materials

NMP

IS

 

Silvina Pagola: spagol@wm.edu

Jim Kadak: Kaduk@polycrystallography.com   

 

TUES 7/24

4.2.5

Crystallography in Synergy with Computation, Spectroscopy and Synthesis 

SM

 

Larry Falvello: falvello@unizar.es

Alberto Albinati: alberto.albinati@unimi.it

 

TUES 7/24

AAB

Annual Awards Banquet

 

 

 

Wednesday, July 25th

WED 7/25

PLN

Planning Session 2019 Kentucky

 

 

 

 



FRIDAY, JULY 20TH                                                                                                                                                                                     

 

WK1 - TBA

 

 

WK2 - TBA

 

 

WK3 - TBA

 

 

First Time Attendee and Student Meeting Orientation

Are you a young scientist? Is this your first time at the ACA? Join us at this informal session geared towards orienting young scientists and first time attendees to the structure of the meeting and how to make the most of their experience at the ACA Toronto 2018!

 

 

Opening Ceremony & Lecture

 

 

Opening Reception & Exhibit Show

 

 

SATURDAY, JULY 21ST                                                                                                                                                                            

 

1.1.1

Closing the R-Factor Gap in Protein Crystallography

Organizers:

James Holton (jmholton@lbl.gov)

Robert Thorne (ret6@cornell.edu)

 

 

1.1.2

Structural biology of nucleic acids and protein-nucleic acid complexes 

This session explores the latest discoveries in nucleic acid form and function with a focus on ncRNAs, as well as the structure and biogenesis of protein-nucleic acid complexes. Preference for oral presentations will be given to descriptions of ncRNA gene regulatory mechanisms with implications for drug discovery, as well as large assemblies whose structure provides insight into the underlying biology. These areas of structural biology have been catalyzed by advances in XFEL technology and cryoEM, which have enabled the structural analysis of dynamic RNAs and large protein-nucleic acid complexes that have defied the use of canonical crystallographic approaches. These advances will be highlighted along with other complementary approaches.

Organizers:

Joseph E. Wedekind (joseph.wedekind@gmail.com)

Rui Zhao (rui.zhao@ucdenver.edu)

Aaron Robart (Aaron Robart)

 

 

1.1.3

Dynamic Crystals as Molecular Materials

This half-day session is devoted to dynamic crystals, specifically the design, synthesis and study of crystalline molecular systems that exhibit dynamic properties. Dynamic crystals will be highlighted as a first step toward a new generation of molecular materials with modifiable physical properties, facile solid state reactions, or controlled responsivity to external stimuli (e.g., mechanical, chemical, thermal, etc.). The macroscopic properties in the target materials arise from changes in the arrangement of weakly bonded molecules in a molecular crystal. Participants are invited to submit abstracts related to: mechanical dynamics within the crystal structure; plasticity of molecular crystals; phase transitions in crystalline materials; dynamic host-guest relationship in inclusion compounds; solid state reactivity in molecular and supramolecular crystals.

Organizers:

Dmitriy V. Soldatov (soldatov@uoguelph.ca)

Louise Dawe (ldawe@wlu.ca)

 

 

1.1.4

Neutron and X-ray Scattering of Correlated and Quantum Materials

There is considerable recent interest in magnetic materials which show strong electron correlation and spin orbit coupling, geometric frustration and quantum effects which lead to exotic ground states. These include spin ices, spin liquids, collective spin singlets, Kitaev quantum spin liquids and others. The interest in these effects is partly driven by the potential to transform critical technologies (e.g., quantum computing, energy efficient electronics). Neutron and x-ray scattering are often the most revealing probes of these unusual phenomena, for studies of topology and for characterizing excited states. In this session recent progress from studies of materials exhibiting such exotic behavior using neutron and x-ray scattering methods, both elastic and inelastic, will be highlighted. 

Organizers:

J.E. Greedan (greedan@mcmaster.ca)

Craig Bridges (bridgesca@ornl.gov)

 

 

1.2.1

Structural Dynamics - In honour of Phil Coppens

Organizers:

Yu-Sheng Chen (yschen@cars.uchicago.edu)

Jason Benedict (jbb6@buffalo.edu)

 

 

1.2.2

Hybrid Techniques

Organizers:

Nozomi Ando (nozomi.ando@princeton.edu)

Srinivas Chakravarti (schakrav@bio.aps.anl.gov)

 

 

1.2.3

Neutrons as Complimentary Probes for Crystals and Scattering

This session will focus on the role of neutrons in protein crystallography and small angle scattering which offer complementary data to X-rays enabling us to understand evermore complex systems. Understanding how the structure and dynamics of an enzyme system governs function through the catalytic steps of an enzyme and binding of ligand remain a major challenge in molecular biophysics. For example, many biologically important reactions depend on the transfer of protons, and a complete understanding of the catalytic power of enzymes requires knowledge of the protonation status of residues throughout the reaction pathway. The uniqueness of neutrons is in their fundamental physical properties, which result in the strong scattering from the lightest atoms in the Periodic Table, and in the neutrons' benignity towards biological samples. Small angle neutron scattering (SANS) coupled with contrast matching for the study of biological systems offers fundamentally new, direct information that can only be inferred from most other techniques. SANS is particularly useful for studying the binding of DNA and protein-protein associations in complexes that cannot be crystallized. 

Organizers:

Leighton Coats (coatesl@ornl.gov)

Gloria Borgstsal (gborgstahl@unmc.edu)

 

 

1.2.4

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

Electron scattering techniques offer unique opportunity to probe a variety of structural origin, including lattice, electronic, magnetic and chemical information, of materials' functionalities. This session is to demonstrate the latest development and applications of electron probes with particular highlights on ultrafast, in situ and multimodal techniques. Those researches using electron scattering techniques result in quantitative structural analysis visualized in more-than-three dimensions, with 3D in crystallography and additional dimension in time-domain, energy-space and/or chemical mapping.

Organizers:

Jing Tao (jtao@bnl.gov)

Albina Borisovich (albinab@ornl.gov)

 

 

SUNDAY, JULY 22ND                                                                                                                                                                                

 

PL1

Warren Award Lecture - Simon Billinge

Organizers:

Lisa Keefe (keefe@imca-cat.org)

 

 

2.1.1

Special Sessions in Honour of Richard E. Marsh (1)

In January 2017, Richard E. Marsh passed away after a crystallographic career which spanned over 70 years.  His work on identifying incorrect structures has had a tremendous impact on chemical crystallography, and has led to the development of structure validation tools such CheckCIF.  This session celebrates the life and scientific achievements of R. Marsh. Presentations will include both personal reminiscences and scientific talks on topics inspired by Marsh's work.

Organizers:

Louise Dawe (ldawe@wlu.ca)

Mike Takase (mktakase@caltech.edu)

 

 

2.1.2

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

Crystallography is an established technique in drug discovery and lead optimization. To support these efforts, industrial crystallographers need to conduct a variety of high throughput experiments with the support of automation. This session will present new and unique methods developed to perform library and fragment screening by crystallography, high throughput data collection, and new methods for automated data processing.

Organizers:

Matthew Clifton (matthew.clifton@gmail.com)

Jan Abendroth (jabendroth@be4.com)

 

 

2.1.3

NMR Crystallography

Organizers:

Manish Mehta (mmehta@oberlin.edu)

Tomislav Friscic (tomislav.friscic@mcgill.ca)

 

 

2.1.4

Advances in Biological Cryo-Electron Microscopy 1

Over the past five years, cryo-EM has become increasingly popular and is often the method of choice for structure determination of proteins larger than ~200 kDa. It has been particularly successful for proteins that are difficult to crystallize, including membrane proteins, large assemblies and multi-protein complexes. This session will feature recent structures determined using cryo-EM. The morning session will focus on membrane proteins. The afternoon session will focus on challenging macromolecules including dynamic complexes and smaller proteins. Both sessions will include invited speakers and selected abstracts.

Organizers:

Wah Chiu (wah@bcm.edu)

Lori Passmore (passmore@mrc-lmb.cam.ac.uk)

 

 

2.1.5

Materials for a Sustainable Future

This session explores advances and challenges related to the theory, design, synthesis, and application of advanced crystalline materials for applications in sustainable, alternate, and clean sources of energy. These applications include, but are not limited to, photovoltaic, photocatalytic, electrochemical and gas storage systems that center around carbon-neutral, carbon-free, and carbon reduction paradigms. 

Organizers:

Mario Wriedt (mwriedt@clarkson.edu)

Fernando J. Uribe-Romo (fernando@ucf.edu)

 

 

2.2.1

Special Sessions in Honour of Richard E. Marsh (2)

In January 2017, Richard E. Marsh passed away after a crystallographic career which spanned over 70 years.  His work on identifying incorrect structures has had a tremendous impact on chemical crystallography, and has led to the development of structure validation tools such CheckCIF.  This session celebrates the life and scientific achievements of R. Marsh. Presentations will include both personal reminiscences and scientific talks on topics inspired by Marsh's work.

Organizers:

Paul Boyle (pboyle@uwo.ca)

Alexander Filatov (afilatov@uchicago.edu)

 

 

2.2.2

New Advances in Fiber Diffraction

This session will explore recent advances in fiber diffraction and how these advances are enabling leading-edge research that benefits from a merging of ideas and techniques from different disciplines.

Organizers:

J. Orgel (orgel@iit.edu)

P. Langan (langanpa@ornl.gov)

 

 

2.2.3

General Interest 1

General Interest sessions are the forum for topics of broad interest to the crystallographic community or for presentations that do not fit the specific theme of other sessions. All presentations are selected from submitted abstracts.

Organizers:

Carla Slebodnick (slebod@vt.edu)

Soumya Remesh (sgremesh@lbl.gov)

 

 

2.2.4

Advances in Biological Cryo-Electron Microscopy 2

Over the past five years, cryo-EM has become increasingly popular and is often the method of choice for structure determination of proteins larger than ~200 kDa. It has been particularly successful for proteins that are difficult to crystallize, including membrane proteins, large assemblies and multi-protein complexes. This session will feature recent structures determined using cryo-EM. The morning session will focus on membrane proteins. The afternoon session will focus on challenging macromolecules including dynamic complexes and smaller proteins. Both sessions will include invited speakers and selected abstracts.

Organizers:

Wah Chiu (wah@bcm.edu)

Lori Passmore (passmore@mrc-lmb.cam.ac.uk)

 

 

2.2.5

Materials for Energy Conversion & Storage

The development of new technologies for electrical energy production, storage and conversion is critical to the long-term security of national and international energy infrastructure, spanning a whole range of applications, from electrical grid to electric vehicles to personal electronic devices. Operation of these energy storage devices is governed by phenomena that span multiple length and time scales. Incisive characterization tools are essential to advance our fundamental understanding of these phenomena and how they ultimately impact. Gaps exist in our understanding of charge transfer, mass transport and structural changes that impedes the rational optimization of capacity, charge rate, lifetime and safety. The goal of this session is to provide a broad overview of neutron and X-ray scattering studies on materials that address key energy-related problems, including but not limited to new battery materials and solar technologies.

Organizers:

Ashfia Huq (huqa@ornl.gov)

Olaf Borkiewicz (borkiewicz@aps.anl.gov)

 

 

2.3.1

Would You Publish This?

When is a structure too poor to publish? How much should scientific impact affect this decision? What are some recommended procedures for publishing poor quality structures? What compromises are involved in the publication of "low quality" structures? If you have ever asked yourself these questions then share your insights structures and problems with the small molecule community. Talks in this session will be restricted to approximately 5 minutes in order to encourage audience participation and discussion. All talks will be selected from submitted abstracts. Those who submit abstracts to this session may still submit a second abstract to other sessions at no additional fee.

Organizers:

Dannielle Gray (dgray@illinois.edu)

Jeff Burtke (jb2667@georgetown.edu)

 

 

 

MONDAY, JULY 23RD                                                                                                                                                                              

 

PL3

Beurger Award Lecture - Frank Hawthorne

Organizers:

Lisa Keefe (keefe@imca-cat.org)



3.1.1

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

This session will feature presentations describing a broad range of structural and functional studies related to pathogens, including some particularly timely topics. Pathogens will include viruses, bacteria, and protozoa; others such as fungi and yeast may be included. Special attention will be given to the following topics: molecular characterization of pathogen-glycan interactions, novel targets for antibiotic therapeutics, multidrug resistance of pathogenic microorganisms, malaria proteins mediating interactions with the vector/host, and proteins and complexes important in immune responses to pathogens. Applied science will be discussed in relation to the use of structure-based approaches for the development of novel antivirals and antimicrobials, broadly active vaccines, and immuno-therapeutics. Talks will be featured from invited speakers leading their fields, as well as selected abstracts from general submissions.

Organizers:

B.V.V. Prasad (vprasad@bcm.edu)

Jean-Philippe Julien (jean-philippe.julien@sickkids.ca)

Michael Becker (Michael Becker)

David Rose (drrose@uwaterloo.ca)

 

 

3.1.2

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

The proper handling of ligand identification, placement, and refinement is at the core of important research in drug discovery, biomedical science and biotechnology. One motivation for this session is an alarmingly high number of structures being deposited in the PDB with dubious ligands. In this session we will review the current best practices regarding ligands in structural biology as well as review illustrative case studies from industry and academia. This session should be especially attractive to graduate students and postdocs in macromolecular crystallography.  

Organizers:

Anna Gardberg (anna.s.gardberg@gmail.com)

Kurt Krause (kurt.krause@otago.ac.nz)

 

 

3.1.3

Theoretical and Computational Crystallography - Present and Future Opportunities at the Structural Interface of Experiment and Theory 1

The theoretical and computational foundations of crystallography are critical to future progress in all branches of structural science. This session will focus on recent theoretical and computational developments in the prediction, modeling, determination, classification, and rational understanding of crystalline materials and their properties.

Organizers:

Branton Campbell (branton_campbell@byu.edu )

Greg McColm (mccolm@usf.edu )

 

 

3.1.4

Next Generation Sources/SAS @ New Sources

Over the last couple of years, a number of new research infrastructures have arrived that give through the hugely increased flux and enhanced coherence, new opportunities to experiments using diffraction and scattering based methods. With more infrastructures engaged in or planning upgrades this session aims to highlight some of the facilities that have become available or are being planned. In addition, the latest advancements in SAS science exploiting the characteristics of these new sources will be showcased.

Organizers:

Marjolein Thunnissen (marjolein.thunnissen@maxiv.lu.se)

Ray Sierra (rsierra@slac.stanford.edu)

 

 

3.1.5

Crystallography at Extreme Conditions

This session is meant to focus on experiments and challenges in crystallography measured at extreme pressure or temperature conditions. The study of matter at extreme conditions has lead to innovations in a wide variety of fields, such as geophysics and energetic materials, as well as advances in our understanding of chemical bonding relevant to planetary evolution and the formation of life. However, the application of crystallographic techniques at nonstandard pressures and temperatures brings a large suite of challenges to the enterprising scientist. In many cases, angular range is severely restricted, x-ray  transmission is low, sample size is microscopic, and/or diffraction peaks may greatly broaden. In some cases, the chemical interaction between the desired sample and its environment is unexpected or not well understood at the experimental conditions. Fortunately, the collection of data at synchrotron facilities serves to greatly enhance data quality, enabling in situ experimentation simultaneous with diffraction. Additionally, technological advances in experimental devices such as the diamond anvil cell and creative efforts in sample alignment have allowed for improved data collection, greatly enhancing the region of reciprocal space collected in samples such as these. However, these experiments are often heroic, and extracting crystal structures and understanding the physics of materials under extreme conditions is not a trivial endeavor. Here we mean to present the state of modern crystallography at high pressure and temperature conditions, and to explore the challenges of the technique going forward and victories that many have had thus far, particularly in the fields of physics, chemistry, and geoscience. We hope that this session will allow participants to get an insight into how they can push the boundaries of their data. Abstracts on high pressure, high temperature, or unique atmospheres will be considered.

Organizers:

Camelia Stan (cstan@lbl.gov)

Cristine Beavers (cmbeavers@lbl.gov)

 

 

3.2.1

Structural Biology of Inherited Metabolic Disorders: Personalized Biochemistry and Biophysics

Inherited metabolic disorders are caused by genetic variations that negatively affect protein function. Thousands of missense mutations in hundreds of proteins have been implicated as causing disease, yet the structural and functional consequences are known for only a small fraction of these cases (1). These mutant proteins represent a grand challenge to the structural biology and biochemistry communities to establish the mechanistic linkage between pathogenic variations and their physiological consequences, providing a rational basis for treatment or preventive care (2). This session will bring together structural biology researchers - both experiential and computational - to present the current state of the field of personalized biochemistry and biophysics and discuss the challenges and opportunities for future research aimed at developing high resolution personalized medicine.

Organizers:

Lesa Beamer (BeamerL@missouri.edu)

Jack Tanner (TannerJJ@missouri.edu)

 

 

3.2.2

Crystallization on the International Space Station

"The mission of the Center for the Advancement of Science in Space (CASIS) is to maximize the utilization of the International Space Station U. S. National Laboratory (ISS National Lab) for research and technology development aimed at benefitting humankind. CASIS supports collaboration with NASA, other government agencies, not for profit institutions, industry partners, and commercial entities committed to exploring the intellectual, technological and economic opportunities offered by space.

 

CASIS is actively engaged in supporting projects utilizing the ISS National Lab for a variety of life and physical sciences crystallization experiments - organic and inorganic molecules.  In addition to supporting current flight projects CASIS is working with the user community to outline the basic science requirements for a long-term crystallization program aboard the ISS National Lab. 

 

This session will provide a forum for the following topics. How to access the ISS National Laboratory platform for all types of crystal growth.  Hardware, methodologies, capabilities for microgravity crystallization - organic and inorganic.  Physics and chemistry of microgravity crystallography.  Results from recent (2015-2018) crystallography experiments aboard the ISS National Laboratory.  STEM Outreach Programs for space/ground crystallography."

Organizers:

Ken Savin (ksavin@iss-casis.org)

Marc Giulianotti (mgiulianotti@iss-casis.org)

 

 

3.2.3

Theoretical and Computational Crystallography - Present and Future Opportunities at the Structural Interface of Experiment and Theory 2

The theoretical and computational foundations of crystallography are critical to future progress in all branches of structural science. This session will focus on recent theoretical and computational developments in the prediction, modeling, determination, classification, and rational understanding of crystalline materials and their properties.

Organizers:

Peter Khalifah (peter.khalifah@stonybrook.edu)

Wenhao Sun (wenhaosun@lbl.gov)

 

 

3.2.4

Scattering Strategies in Biomembrane Research

The structure and function of cellular membranes in biology remains among the most challenging areas in both the life and physical sciences. Cellular membranes are complex, mesoscopic assemblies that are much more than simple permeable barriers or passive matrices for proteins; rather, they play an active role in many cellular functions, and they have a rich metabolism of their own. An understanding of cell membrane structure, dynamics and maintenance is pivotal for understanding its biological functionality. For biophysical investigations of biomembranes and small membrane-bound molecules, it is important to consider perturbations that might be caused by extrinsic probes. For example, the use of bulky lipid fluorophores can in some cases alter the physical properties of the bilayer. Neutron and X-ray scattering techniques are intrinsically probe-free and therefore offer a means to overcome this issue. Moreover, significant strides have been made in recent years to develop model membrane systems that more faithfully mimic the properties of biological membranes, and which lend themselves to investigation via scattering techniques. This session will allow ideas to be shared regarding the development new strategies and experimental platforms to investigate biological membranes using probe-free techniques.

Organizers:

Frederick Heberle (heberlefa@ornl.gov)

Drew Marquardt (drew.marquardt@ornl.gov)

Maikel Rheinstadter (Maikel Rheinstadter)

 

 

3.2.5

Mineralogical Crystallography

This session aims to highlight geoscience research in which crystal structure determination was a key component. Abstracts are encouraged on, but not limited to: crystal chemistry, petrology, mineral physics, time-resolved spectroscopy, biomineralization, and mineralogy in medicine.

Organizers:

Nichole Valdez (vald2292@vandals.uidaho.edu)

Aaron Celestain (aaron.celestian@gmail.com)

 

 

3.3.1

Diversity & Inclusivity

This session includes talks on strategies related to diversity and inclusion. Approaches may involve programming through workshops, mentoring resources, and non-profit alliances. The overall focus is to broaden the discussion of diversity and increase the participation of underrepresented groups in academia, industry, and government, and to engage students early in their scientific careers. Those who submit abstracts to this session may still submit a second abstract to other sessions at no additional fee.

Organizers:

Bernard Santarsiero (bds@uic.edu)

 

 

 

TUESDAY, JULY 24TH                                                                                                                                                                               

 

PL3

Etter Award Lecture - Jason McLellan

Organizers:

Lisa Keefe (keefe@imca-cat.org)

 

 

4.1.1

Structural Biology of Pathogens and Drug Resistance 2

This session will feature presentations describing a broad range of structural and functional studies related to pathogens, including some particularly timely topics. Pathogens will include viruses, bacteria, and protozoa; others such as fungi and yeast may be included. Special attention will be given to the following topics: molecular characterization of pathogen-glycan interactions, novel targets for antibiotic therapeutics, multidrug resistance of pathogenic microorganisms, malaria proteins mediating interactions with the vector/host, and proteins and complexes important in immune responses to pathogens. Applied science will be discussed in relation to the use of structure-based approaches for the development of novel antivirals and antimicrobials, broadly active vaccines, and immuno-therapeutics. Talks will be featured from invited speakers leading their fields, as well as selected abstracts from general submissions.

Organizers:

B.V.V. Prasad (vprasad@bcm.edu)

Jean-Philippe Julien (jean-philippe.julien@sickkids.ca)

Michael Becker (Michael Becker)

David Rose (drrose@uwaterloo.ca)

 

 

4.1.2

Minding the Gap: MX to XFEL / Open Science

The serial crystallography (SX) method, originally developed at X-ray free-electron lasers (XFELs) to examine sub-micron protein crystals has been quickly adapted for use at synchrotron beamlines; new sample delivery methods, both fixed target and injector based  developed at synchrotron facilities has resulted in a wider range of sample environments available at XFELs. The drive to develop common data processing frameworks for multicrystal single shot and oscillation experiments has also caused a major revival in crystallographic software developments. This session will explore the interplay between XFELs and synchrotrons and how it contributes to advances in X-ray sourced based macromolecular crystallography.

Organizers:

Jenifer Wierman (jlw352@cornell.edu)

Ana Gonzalez (ana@slac.stanford.edu)

 

 

4.1.3

Cool Structures

This session will focus on anything that a researcher thinks might be cool, neat and interesting crystallographically, particularly structurally. The session has a particularly proud history of supporting students, and giving them the opportunity to present their work, which is generally 15-20 minutes, with only contributed abstracts taken.

Organizers:

Shao-Liang Zheng (zheng@chemistry.harvard.edu)

SuYin Grass (yschen@cars.uchicago.edu)

 

 

4.1.4

Application of SAS to Complex Mixtures

A prerequisite for detailed SAS analysis is having a well described ideally monodisperse sample for data collection. Inline size-chromatography SAS is one method of removing aggregates or separating different species just before the SAS measurement. It has been attracting considerable attention over the last several years in the SAS community and has been implemented in one way or another at most SAS beamlines at synchrotrons around the world. This session is dedicated to methods - such as chromatography coupled SAS but not limited to it - on how to deal with the non-ideal but often more realistic situation of a mixed sample in small angle scattering.

Organizers:

Thomas Weiss (weiss@slac.stanford.edu)

Nigel Kirby (nigel.kirby@synchrotron.org.au)

 

 

4.1.5

Operando & In-Situ Studies

Operando and in situ X-ray or Neutron scattering experiments provide insights on how materials behave undergoing the processes of interest, e.g. charging and discharging of a battery cell, melting and recrystallizing of mixed solids, photocatalysis, tuning of environmental variables such as temperature, pressure, humidity, stress, etc. This session welcomes all abstracts in any research field that applies in situ methods to probe material structures or structural changes. Abstracts in novel instrument designs and applications for in situ processes and inline data driven experimental parameter control protocols are especially welcome.

Organizers:

Wenqian Xu (wenqianxu@aps.anl.gov)

Sanjit Ghose (sghose@bnl.gov)

 

 

4.2.1

Multi-Structural Proteins

Many proteins have a primary sequence that can assemble or reassemble to vastly different folded structures. These different assemblies can readily interconvert and accommodate different capabilities. This phenomenon is particularly intriguing for multi-domain proteins for which hinge motions cause alternate monomer conformations that dictate different assemblies. Two notable examples are porphobilinogen synthase for which alternate oligomers provide allosteric regulation of enzyme function; and the Ebola virus VP40 protein for which alternate oligomers account for alternate essential viral functions. This session will explore other shape shifting proteins, their structure-directed functions, and the biological triggers of structural transformation. We want to hear about your multi-structure molecules.

Organizers:

Erica O Saphire (erica@scripps.edu)

Emilia C Arturo (eca38@drexel.edu)

 

 

4.2.2

General Interest 2

General Interest sessions are the forum for topics of broad interest to the crystallographic community or for presentations that do not fit the specific theme of other sessions. All presentations are selected from submitted abstracts.

Organizers:

Michael Takase (mktakase@caltech.edu)

Laura Van Staalduinen (0lmd1@queensu.ca)

 

 

4.2.3

Engaging Undergrads with Crystallographic Research

This session is focused on how to effectively engage undergraduate students in investigations that involve protein or small-molecule crystallography.  Specific topics may include student training and mentoring in research that involves crystallography, the integration of crystallographic research into the teaching curriculum, strategies for faculty professional success in research and teaching involving X-ray crystallography, approaches towards building crystallography research infrastructure impacting undergraduates, and effective involvement of undergraduates at synchrotron facilities.

Organizers:

Joe Tanski (jotanski@vassar.edu)

Rachel Powers (powersra@gvsu.edu)

 

 

4.2.4

Powder Diffraction of Industrial and Pharmaceutical Materials

This session will focus on recent advances in the methodology for solving crystal structures from powders and results on industrially-relevant materials and processes.  Powder diffraction undertakes many roles in the pharmaceutical and other industries. Besides traditional crystal phase identification, it is used in the study of solid-state reactions, phase behavior under industrial processing, lead optimization, salt and co-crystal screening for the development of solid drug delivery forms, polymorphism studies, solid-state studies involving solvation/desolvation, etc. Crystal structure determination from powders is very valuable when single crystals cannot be obtained, or the properties of single crystals and powders may differ. Powder diffraction studies are often carried out in combination with other solid-state techniques, such as NMR, FT-IR spectroscopy, DFT calculations, thermogravimetry and differential scanning calorimetry, among others.

Organizers:

Silvina Pagola (spagol@wm.edu)

Jim Kadak (Kaduk@polycrystallography.com )

 

 

4.2.5

Crystallography in Synergy with Computation, Spectroscopy and Synthesis 

This session will stress the advantages of multidisciplinary approaches to solving complex chemical and physical problems. The synergy among crystallography, computational modelling, NMR and other spectroscopic techniques, and less commonly used techniques such as neutron inelastic scattering will be put front and center. That chemical synthesis can also be informed by these characterization techniques is well established, and presentations emphasizing this interactivity will be welcome. We hope, once again, to emphasize the importance for crystallographers of using a multidisciplinary approach and to stress the importance that crystallographic results have in the study of chemical and biochemical reactivity. 

Organizers:

Larry Falvello (falvello@unizar.es)

Alberto Albinati (alberto.albinati@unimi.it)