Scientific sessions are sponsored and organized by the 12 Scientific Interest Groups (SIGs) within the association. Some sessions are jointly sponsored and organized; others are singularly organized. Visit the ACA SIG page to learn more. 


Scientific Program as of April 17,  2014

SATURDAY, MAY 24

 

 

 

Sponsoring SIG

Organizers

Workshop


 

 

 

8:30-12:00pm

WK.01

Joint X-ray & Neutron Refinement with PHENIX. Half-day  workshop.

 

Zoe Fisher

Marat Mustyakimch

Pavel Afonine

8:00-5:00pm

WK.02

Grazing Incidence SAXS Theory and Data Analysis. Full-day workshop.

 

Alex Hexemer

Chenhui Zhu

12:00pm

 

M.C. Escher and Crystallography a lecture by Dr. Doris Schattschnei

New Mexico Museum of Natural History & Science.

This lecture is free and open to the public.

 

 

1:00pm-5:00pm

WK.03

Reciprocal Space Visualization - MAX3D

 

Jim Britten

 

5:30pm-6:30pm

0.3.1

YSSIG Orientation

 

YSSIG

Kate Page


7:30pm-10:30pm

 

Opening Reception & Exhibit Show

 

 

 

SUNDAY, MAY 25

8:00am-8:45am

P1

Plenary - A. Patterson Award- John Helliwell

 

 

 

9:00am-12:00pm

1.1.1

Pathological Fibers: Prions Amyloids & Friends MOVED TO TUESDAY AFTERNOON AT 4:10PM

Fiber, SAS

Joseph Orgel

 

9:00am-12:00pm

1.1.2

Instrumentation & Methods for Structure Solution of Nanosized Materials

MNP

Pavol Juhas

John Helliwell

9:00am-12:00pm

1.1.3

Immunology of Cancer   CANCELLED

BioMac, Industrial

Sherry La Porte

Steve Almo

9:00am-12:00pm

1.1.4

Frontier of Structure-selective Characterization in Complex Soft Matter Materials

 

Wei Chen

Yun Liu

9:00am-12:00pm

T1

Transactions I: 100 Years of Crystallography

 

Eddie Snell

Stephan Ginell

12:00pm-1:30pm

 

Undergraduate Reception - sponsored by the Society of Physics Students

 

 

 

12:00-1:00pm

 

SIG Meetings:

Industrial

Canadian Division Meeting

Rigaku Lunch & Learn

 

 

1:30pm-5:00pm

1.2.1

Industrial Research from Young Scientists

Industrial, YSSIG

Pete Wood

George Lountos

1:30pm-5:00pm

1.2.2

Surface & Interface: in-situ & Real-time Studies by GISAXS  CANCELLED

SAS

Zhong Zhang

Darren Dunphy

1:30pm-5:00pm

T2

Transactions II: 100 Years of Crystallography

 

Steve Ginnell

Eddie Snell

1:30pm-5:00pm

1.2.3

Disorder & Inhomogeneity in Complex Materials Probed by PDF

 

MNP

Ram Seshadri

1:30pm-5:00pm

1.2.4

General Interest I

GIG

 

 

5:00pm-6:00pm

 

SIG Meeting:  General Interest

 

 

5:00pm-5:45pm


 

Demonstration and Q&A on the New wwPDB Deposition and Annotation System

Learn about the new features and enhancements in the new wwPDB Deposition and Annotation System that is currently in production.  Door prizes to be awarded!

 

RCSB/Protein Data Bank

Evening Events

 

 

 

 

5:00pm-6:30pm

1.3.1

Career Odyssey Panel - Click here to view bios of speakersClick here to view Q&A.

YSSIG

Martin Donakowski

5:30pm-7:30pm

 

POSTER SESSION S sponsored by

 

 

 

 

YSSIG mixer

 

 

MONDAY, MAY 26

8:00am-8:45am

P2

Plenary - E. A. Wood Science Writing Award - Dan Rabinovich

 

 

 

9:00am-12:00pm

2.1.1

Scattering and Energy Storage Materials

 

Craig Bridge

Lilin He

Ashfia Huq

Peter Chupas

9:00am-12:00pm

2.1.2

Neutrons in Biology: Structural Enzymology

 

BioMac, Neutrons

Zoe Fisher

Paul Langan

9:00am-12:00pm

2.1.3

Blackboard Sessions: Data Processing With The Pros

YSSIG

Andrew Torelli

Ed Collins

9:00am-12:00pm

2.1.4

Wavelengths and Particles as Tools in Structural Analyses

Synch, SMol

Vivian Stojanoff

B.C. Wang

9:00am-12:00pm

2.1.5

Discovering Emergent Phenomena and Magnetism With Neutron and X-Ray Powder Diffraction

MNP

Anna Llobet

Branton Campbell

12:00pm-1:00pm

 

SIG Meetings:

Materials, Neutron & Powder Joint Meeting

Fiber Diffraction

 

 

12:00pm-1:30pm

 

Agilent Luncheon Seminar registration required

 

 

1:30pm-5:00pm

2.2.1

Engaging Undergraduate Students with X-ray Crystallography: Curriculum Development Undergraduate Research, Equipment Acquisition and Strategies for Faculty Success

GIG (CEC) SMol, Service

Kraig Wheeler

Roger Rowlett

1:30pm-5:00pm

2.2.2

Meso-scale Structures in Hard Matter Systems  CANCELLED

 

SAS

Ken Littrell

1:30pm-5:00pm

2.2.3

Supermolecular Assemblies

 

BioMac, Canadian

Gerald Audette

1:30pm-5:00pm

2.2.4

Producing and Transporting Energy: Thermoelectrics, Superconductors, Photovoltaics, and Magnets

MNP

Michael McGuire

Peter Khalifah 

1:30pm-5:00pm

2.2.5

Automation: from Crystal to Solved Structure

Synch

Aina Cohen

Stephen Ginell

1:30pm-5:00pm

2.2.6

Bio SAS Data Analysis within US-SOMO

 

Javier Perez

Mattia Rocco

Emre Brookes

5:00pm-6:00pm

 

SIG Meetings:

Young Scientists

Light Source (formerly Synchrotron Radiation)

 

 

Evening Events

 

 

 

 

5:30pm-7:30pm

 

POSTER SESSION M

 

 

 

TUESDAY, MAY 27

8:00am-8:45am

P3

Plenary Etter Early Career Award: Borden Lacy

 

YSSIG

 

9:00am-12:00pm

3.1.1

Etter Early Career Award Symposium

 

YSSIG

Yulia Sevryugina

9:00am-12:00pm

3.1.2

Combined Techniques in one Beamline

Synch, Canadian

Pawel Growchulski

Allen Orville

9:00am-12:00pm

3.1.3

Solution structure & Dynamics of Biomacromolecules

BioMac, SAS, Canadian

Thomas Weiss

9:00am-12:00pm

3.1.4

Exciting Biology from Challenging Systems I: Developers

BioMac, Synch

Gerd Rosenbaum

Simon Morton

9:00am-12:00pm

3.1.5

Earth/Environmental Sciences

MNP

Claudia Rawn

Olaf Borkiewick

12:00pm-1:00pm

 

SIG Meetings: 

Small Angle Scattering

BioMac

Small Molecules & Service Joint Meeting

 

 

1:30pm-5:00pm

3.2.1

Flesh & Blood: Intact and in-situ Connective Tissue Diffraction Studies of Animals Plants and Insect Bodies

Fiber

Olga Antipova

Joseph Orgel

1:30pm-5:00pm

3.2.2

Structural Studies of Radioelements

MPN, Service

Paul Forster

Alice Smith

1:30pm-5:00pm

3.2.3

Computational Chemical & Biological Crystallography: Complimentary Methods Bridging the Divide

Smol, Service, Canadian

Louise Dawe

Jason Mercer

1:30pm-5:00pm

3.2.4

Exciting Biology from Challenging Systems II: Users   CANCELLED

BioMac, Synch

Ruslan Sanishvili

 

1:30pm-5:00pm

3.2.5

Chemistry and Biology with Novel Scattering Techniques

Synch, SAS

Nick Sauter

Jacob Urquidi

4:20PM-5:00PM

1.1.1

Pathological Fibers: Prions Amyloids & Friends

Fiber, SAS

 

Evening Events

 

 

 

 

5:00pm

 

Member's Business Meeting

 

 

 

5:30pm-7:30pm

 

POSTER SESSION T

 

 

 

7:30pm

3.3.1

Would You Publish This?   CANCELLED

SMol, Service

Christine Beavers

Kevin Gagnon

WEDNESDAY, MAY 28

8:00am-8:45am

P4

Women in Crystallography - Early Crystallographic Investigations by Nobel Laureate Dorothy Hodgkin.  Jenny Glusker

 

 

9:00am-12:00pm

4.1.1

Solution Structure & Dynamics of Biomacromolecules II

BioMac, SAS, Canadian

Gerald Audette

Thomas Weiss

9:00am-12:00pm

4.1.2

Innovative Ways of Finding Atoms from Powder Diffraction Data

MNP

Graham King

Peter Stephens

9:00am-12:00pm

4.1.3

Neutrons in Biology: New instruments & Structures

Neutrons

Zoe Fisher

Andrey Kovalevsky

9:00am-12:00pm

4.1.4

New Algorithms in SAXS/WAXS

SAS, BioMac

Lee Makowski

Marc Allaire

Jan Ilavsky

9:00am-12:00pm

4.1.5

Cool Structures

 

SMol, Service

Shao-Liang Zheng

 

 

 

 

 

1:30pm-5:00pm

4.2.1

General Interest II

 

GIG

Graciela Diaz de Delgado

1:30pm-5:00pm

4.2.2

Exciting Structures

BioMac, YSSIG

John Rose

Daouda Traore

1:30pm-5:00pm

4.2.3

Opportunities with New Sources

 

BioMac, Synch

Soichi Wakatsuki

1:30pm-5:00pm

4.2.4

SAXS with Biomolecular Mixtures

SAS

Srinivas Chakravarthy

Javier Perez

Emre Brookes

1:30pm-5:00pm

4.2.5

Advances in X-ray and Neutron Scattering Techniques under Non-ambient Conditions


Smol, Canadian, MNP

Greg Halder

Christine Beavers

6:30pm-10:30pm

 

Annual Awards Banquet

 

 

 



WK.01         Joint X-ray & Neutron Refinement with PHENIX  (half-day workshop)

This workshop is intended as a somewhat informal and hands‐on tutorial. We will have 4 organizers/hosts with extensive knowledge and experience in neutron crystallographic refinement. There has been a resurgence in macromolecular neutron diffraction over the last decade in the USA, starting with the construction of the LANL Protein Crystallography Station in ~2001. Since the early 2000s we now have another diffraction instrument, Imagine at ORNL, with a third, MaNDi at ORNL, being commissioned in 2014. This increase reflects the massive user demand for neutron diffraction instrumentation and while beam time and data collection is becoming more routine, there has been a lack of computational programs to handle the non‐trivial refinement approach to dealing with explicit H and D atoms. The current incarnation Joint refinement in PHENIX is expected to be heavily used by a crystallographic community that is rapidly shifting to PHENIX for most refinements. The introductory lecture will frame the context of the workshop. This will explain the "why" of joint X‐ray and neutron refinement for neutron studies, as well as some of the technical "how". The bulk of the workshop will focus on all the steps after neutron data collection: from preparing an appropriate PDB (is your protein hydrogenous, H/D exchanged or fully deuterated) to the finer nuances of a proper neutron/X‐ray refinement. There will also be a focus on careful model building in Coot, taking proper hydrogen bonding and chemistry into account. There are two complementary sessions during the ACA that will focus on Neutrons in Biology (New structures, new instrument and Structural Enzymology) and using PHENIX Joint for this kind of research is the future. Several of the invited speakers have used this software and this will be very useful for workshop participants to see real world examples and results. more

 


WK.02              Grazing Incidence SAXS Theory and Data Analysis

GISAXS is a unique method for characterizing the nanostructural features of materials, particularly at surfaces and interfaces, which would otherwise be impossible using traditional transmission-based scattering techniques[ i ]. It is a surface-sensitive tool for probing simultaneously the sample morphology both in-plane and out-of-plane, and is being increasingly utilized to measure the size, shape and spatial organization of nanoscale objects located on top of surfaces or embedded in mono- or multi- layered thin-film materials. Individual GISAXS images serve as static snapshots of nanoscale structure,while successive images provide a means to monitor and probe dynamical processes, including self-assembly or other reorganization events, which occur at nanometer length scales.

 

The success of GISAXS relies on the unique information that can be extracted from the data. Although microscopy techniques provide very valuable local information on the structure, GISAXS is the only technique able to provide statistical information on nanometer features averaged over square centimeters. Consequently, the method is quickly attracting strong interest as the scattering technique of choice for characterizing nanostructures and is complementary to direct imaging methods such as AFM, SEM or TEM.  more

Financial support for this workshop provided by DECTRIS

 

 

WK.03          Reciprocal Space Visualization - MAX3D

When we use an area detector to collect diffraction data for single crystal structure analysis or polycrystalline solid or film texture analysis we rotate the sample around the φ or ω diffractometer axis and store the 3D pattern as distorted slices of reciprocal space. MAX3D is a visualization program which allows us to compile and view the data as a single object - a 3D plot of intensity vs. radial 2θ. Seeing the full diffraction pattern allows us to better determine crystal or film quality, identify weak super-lattice reflections or twinning, observe the details of diffuse or incommensurate scattering, monitor phase changes, enhance student understanding, etc.

 

 The workshop will open with a discussion of reciprocal space and a description of how the all of the information on an area detector frame (not just Bragg spots) maps into RS. We will look at examples of "single crystal" diffraction showing crystal quality, protein diffraction, twinning, incommensurate scattering, diffuse scattering, quasicrystal diffraction. We will briefly discuss the origins of various scattering features. We will discuss how scanning strategies can be viewed and optimized to observe targeted diffraction features.

 

 The participants will be given a brief introduction to texture analyses - the analyses of polycrystalline grain orientation distribution in solid materials. Mapping of 3D 'powder' diffraction will be demonstrated with examples from studies of metals, thin films, polymers and nano-materials. The obvious teaching applications of the visualization of 3D diffraction patterns for the various types of materials studied will be emphasized. MAX3D can be used live to carefully examine student data, or can output videos of reciprocal space for later use. more

 

TOP OF PAGE 

 

P1               Plenary - A. Patterson Award to John Helliwell

John R. Helliwell has been selected to receive the 2014 ACA Patterson Award for his pioneering contributions to the development of the instrumentation, methods and applications of synchrotron radiation in macromolecular crystallography. A long time member of ACA and Professor of Structural Chemistry at the University of Manchester, UK, John received his undergraduate degree in physics from York University, where he was mentored by Michael Woolfson and Peter Main. He then pursued a PhD in protein crystallography at Oxford, under the supervision of Margaret Adams.  He was mentored by Charlie Bugg and Guy Dodson in the laboratories of Dorothy Hodgkin and David Phillips and was involved in the first experiments that used synchrotron radiation for macromolecular structural studies.

 

He has traveled widely to promote and support crystallography internationally and has made special efforts on behalf of crystallography in the US. He has fostered several synchrotron and neutron projects in the US and served on many advisory and board panels to review synchrotron projects especially, in the last decade, at the APS. His special relationship with American crystallography and the crucial contributions he has made to improve synchrotron radiation applications from the very dawn of the synchrotron era were key for his selection as the 2014 Patterson award recipient. John will receive the award at the 2014 ACA meeting at Albuquerque NM.

 

 

0.3.01       YSSIG Orientation

Our focus is to orient new 'young scientists' and first time attendees to the structure of the ACA Meeting and how to make the most of their experience.

Organize:  Kate Page

  

TOP OF PAGE

 

1.1.1    Pathological Fibers: Prions, Amyloids & Friends

Organizer:  Joseph Orgel    

 

TOP OF PAGE

 

1.1.2          Instrumentation & Methods for Structure Solution of Nanosized Materials

Orgnizers:  Pavol Juhas, John Helliwell  

Development and commercialization of nanomaterials critically depends on an accurate knowledge of their atomic structure.  Structure determination of nanomaterials is an open problem, as well as is our capacity to conduct time studies and stability assessment for individual particles. The session will discuss developments in experimental and data analysis methods for nanostructure determination, such as diffraction, imaging, spectroscopy and also theoretical approaches to nanostructure prediction. The session will bring different perspectives on the nanostructure problem, including the physical and biological sciences relevant to inorganic, organic and biological nanomaterials. The session will also provide a short report on IUCr's participation in a CODATA / VAMAS Working Group for standardization of nanomaterials.

 

TOP OF PAGE

 

1.1.3    Immunology of Cancer

Organizers:  Sherry La Porte, Steve Almo.  Funding for this session provided, in part, by Molecular Pharmacology.

 

TOP OF PAGE

 

1.1.4          Frontier of Structure-selective Characterization in Complex Soft Matter Materials

Organizers:  Wei Chen, Yun Liu    

Small angle scattering (SAS) methodologies have been evolving at a fast pace over the past few decades due to the ever-increasing demands for more details on the complex nanostructures of multiphase and multicomponent soft materials like polymer assemblies and biomaterials. Currently, element-specific and contrast variation techniques such as resonant (elastic) soft x-ray scattering (RSoXS), anomalous small angle x-ray scattering (SAXS), and contrast-matching small angle neutron scattering (SANS), or combinations of SAXS and SANS are routinely used to extract the chemical composition and spatial arrangement of constituent elements at multiple length scales and examine electronic ordering phenomena. This session aims to bring experts in both neutron and x-ray fields to discuss recent advances in selectively characterizing structural architectures of complex soft materials, which have often multi-components with a wide range of length scales and multiple functionalities, and thus hopes to foster novel ideas to decipher a higher level of structural complexity in energy conversion and bio-related systems in future.

 

TOP OF PAGE

 

T1 &T2            Transaction I: 100 Years of Crystallography

Organizers:  Eddie Snell, Stephan Ginell 

 

TOP OF PAGE

 

1.2.1          Industrial Research from Young Scientists

Organizers:  George Lountos, Pete Wood 

An industrial environment can provide invaluable research and career experience for students and other young scientists. At the same time a short or long term research placement can provide an industrial partner with the opportunity to have very focussed research carried out in an otherwise time-stretched setting. This session will showcase research being performed by young scientists at any level (undergraduate, post-graduate or early post-doctoral) either within industry or funded by industry.

 

TOP OF PAGE

 

1.2.2    Surface & Interface: in-situ & Real-time Studies by GISAXS

Orgaizers:  Zhong Zhang, Darren Dunphy

GISAXS greatly enhances the sensitivity of surface x-ray scattering, enabling the in situ study of real time processes such as polymer annealing or self-assembly under ambient conditions in films as thin as a few nm. This session will highlight recent research using GISAXS and related techniques (including GIWAXS), emphasizing time resolved studies, with submissions from all areas of physics, chemistry, materials science, and biology encouraged. 

 

TOP OF PAGE

 

1.2.3          Disorder & Inhomogeneity in Complex Materials Probed by PDF

Organzier:  Ram Seshadri

In recent years, there has been the growing recognition that many functional materials display complex structure-property correlations associated with local structure. These local structural features include nanoscale inhomogeneities and short-range ordering: Phenomena which are often missed by Bragg diffraction. The recent explosion in the use of the pair distribution function (PDF) method, with the increased availability of better total-scattering instruments at the APS, Diamond, ESRF, ISIS, LANL, and the SNS makes this symposium the appropriate forum to examine critical advances in the area.

 

TOP OF PAGE

 

1.2.4          General Interest I

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

 

TOP OF PAGE

 

1.3.1          Career Odyssey Panel

Organizer:  Martin Donakowski

This session will present a panel of speakers from varied career paths who will discuss how they came to be in their position, what factors played into their decision, and what their career entails and requires. The panelists will first discuss their own experiences and will then answer questions from the audience. Click here to view bios of speakersClick here to view Q&A.

 

TOP OF PAGE

 

2.1.1          Scattering and Energy Storage Materials

Orgnaizers:  Craig Bridges, Lilin He, Ashfia Huq, Peter Chupas     

Although rapid developments in energy materials, many challenges still need to be addressed such as maximizing capacity and charge/discharge rates, improving safety and reliability, minimizing cost, size and environmental impact. Scattering has been playing a crucial role in advancing our understanding of microstructure and dynamics in energy materials, resulting in discoveries and developments of new materials with preferred performances. The focus of this session will be on the recent advances in scattering applications in characterizing energy materials for batteries, capacitors, super-capacitors, fuel cells, hydrogen storage materials and beyond.


Invited Speaker(s):

Karena Chapman, Electrochemical energy storage: New tools to decouple mesoscale effects

 

 

TOP OF PAGE

 

2.1.2          Neutrons in Biology: Structural Enzymology

Organizers:  Zoe Fisher, Paul Langan        

The first of two "Neutrons in Biology" sessions has a focus on neutron and x-ray crystallographic studies of novel enzyme systems. Main topics are high impact studies of clinically relevant targets in complex with drugs/inhibitors and structural enzymology studies where neutron have made a unique contribution in our understanding of enzyme mechanism and/or drug binding.

 

TOP OF PAGE

 

2.1.3          Blackboard Sessions: Data Processing With the Pros

Organizers: Andrew Torelli, Ed Collins     

In the fifth installment of the popular Blackboard Sessions, we will revisit the critical task of processing X-ray crystallographic data. The authors of several major data processing software packages will discuss how to approach real datasets with common pathologies. The datasets will be made available to the ACA community ahead of time as well as narrated step-by-step procedures recommended by the authors.

 

TOP OF PAGE

 

2.1.4          Wavelengths and Particles as Tools in Structural Analyses

Organizers:  Vivian Stojanoff, B.C. Wang  

Most crystal structures reported in the protein data bank are determined using monochromatic x-ray and neutrons about 1 A. In addition, most small molecule structures are generated using either molybdenum or copper X-rays. This session will focus on new applications of single and multiple wavelength methods. Specific areas will include Laue diffraction and multiple wavelength methods; exploration of extremes, short and ultra-short, and long wavelengths; multiple crystals. Oral presentations will be chosen from contributed abstracts.

 

TOP OF PAGE

 

2.1.5          Discovering Emergent Phenomena and Magnetism with Neutron and X-ray Powder Diffraction

Organizers:  Anna Llobet, Branton Campbell        

The interplay of spin, lattice, charge, and orbital degrees of freedom in strongly correlated electron systems leads to the development of novel emergent phenomena like superconductivity, magneto-electric coupling, multiferroicity to name a few. The complex nature of the competing interactions and nearly degenerate multipleground states often leads to symmetry breaking to form ordered patterns, such as the formation of stripes, ladders, checkerboards, frustrated magnetism or phase separation, and an enhanced response to external influences. This session will focus on how neutron and x-ray powder diffraction has impacted this field by discovering and elucidating magnetic and structural short- and long-range correlations in such systems.

 

TOP OF PAGE

 

2.2.1          Engaging Undergraduate Students with X-ray Crystallography: Curriculum Development, Undergraduate Research, Equipment Acquisition, and Strategies for Faculty Success

Organizers:  Roger Rowlett, Kraig Wheeler    

The next generation of crystallography users is rapidly expanding from post docs and graduate students to an even younger crowd - undergraduates. Success with capturing this younger demographic is now well recognized in both formal training and research experiences. This session is especially appropriate for faculty wishing to involve undergraduates in protein and/or small molecule crystallography, including new faculty or those considering academic positions at undergraduate institutions. Presentations will address issues of integration of crystallography into the curriculum, engaging undergraduates in crystallography research, and strategies for faculty professional development and instrument acquisition.

Partial financial support for this session provided by Crystallographic Resources, Inc.

 

TOP OF PAGE

 

2.2.2    Meso-scale Structures in Hard Matter Systems

Organizer:  Ken Littrell

 

TOP OF PAGE

 

2.2.3          Supermolecular Assemblies

Organizer:  Gerald Audette              

This session will feature talks and posters that describe structural studies of protein-protein, protein-nucleic acid and protein-ligand complexes using X-ray crystallography and other complementary biophysical techniques, with an emphasis on large macromolecular complexes.

 

TOP OF PAGE

 

2.2.4          Producing and Transporting Energy: Thermoelectrics, Superconductors, Photovoltaics, and Magnets

Organizers:  Michael McGuire, Peter Khalifah

Structural insights are needed to understand and improve the performance of materials utilized for a variety of energy technologies. This session will focus on X-ray and neutron diffraction studies of solid state compounds that serve critical roles in current and emerging technologies for energy production, storage, and transportation.

 

Invited speaker(s):

Kirill Kovnir 

Vladimir Antropov

 

 

TOP OF PAGE

 

2.2.5          Automation: From Crystal to Solved Structure

Organizers:  Aina Cohen, Stephen Ginell  

Automation is an important component of high throughput structural biology. This session will focus on the different aspects of automation at synchrotron facilities, such as: robotic crystal loop mounting, crystal mounting robots, auto loop alignment, rastering, auto data analysis and processing, structure solution, model building and refinement. Speakers will be chosen from both invited and submitted abstracts.

 

TOP OF PAGE

 

P3                2014 ACA Etter Early Career Award to D. Borden Lacy

D. Borden Lacy (Vanderbilt University Medical Center) is a structural biologist and biochemist. Some of her outstanding achievements include the determination of the structure of the botulism neurotoxin during her graduate studies at UC Berkeley, broadly enabling both basic and applied research targeting this pathogen. Her postdoctoral studies with John Collier were equally productive and are best described by Walter Chazin as a tour de force examination of the molecular basis of anthrax toxin pathogenesis. As an independent investigator, she has also contributed tremendously to Vanderbilt University as well as to the overall scientific community. She has trained a number of students and has contributed to a number of courses. She has served on multiple committees both within and outside the university.  She is exceptionally well-funded: she has won the Burroughs Welcome Award for the study of the pathogenesis of infectious diseases as well as several NIH grants. She was also well funded, with numerous fellowships and awards, during her training years.  On a personal level, she is known for her outstanding personality, and for being a caring mentor and a role model for women in science. She is successful by all measures and embodies the spirit of Margret C. Etter.

 

TOP OF PAGE

 

3.1.1          Etter Early Career Award Symposium

Organizer:  Yulia Sevryugina           

The session will focus on the work of early career scientists. Students and postdoctoral researchers in any field of crystallography are welcome to submit abstracts. All oral presentations in this session are selected from contributed abstracts.

 

TOP OF PAGE

 

3.1.2          Combined Techniques in One Beamline

Organizers:  Pawel Growchulski, Allen Orville       

Structural analysis of ligand complexes or reactive intermediates often provides valuable mechanistic insight, but from which crystallographers often interpret "mystery density" within the data. The talks and posters in this session are intended to highlight crystal structures and the use of techniques, including single-crystal spectroscopy, that provide strong correlation(s) to function.

 

TOP OF PAGE

 

3.1.3    Solution Structure & Dynamics of Biomacromolecules

Organizer:  Thomas Weiss  

 

TOP OF PAGE

 

3.1.4          Exciting Biology from Challenging Systems I: Developers

Organizers:  Gerd Rosenbaum, Simon Morton

The goal of the session is to present to the community advanced methods and techniques in macromolecular crystallographic data acquisition and processing. In particular of interest are translation and adaptation of the highly sophisticated methods of sample handling developed for FELs to the conditions at storage ring sources. We also invite software developers to report on the integration of the advances in processing data from serial crystallography developed at the FEL centers into program packages available to the wider community.

 

TOP OF PAGE

 

3.1.5          Earth/Environmental Sciences

Organizers:  Claudia Rawn, Olaf Borkiewicz  

Mineralogy brings together the chemistry, crystal structure, and physical properties of minerals. The Southwestern United States has an important mining history that went hand-in-hand with the establishment of mineralogy divisions within many of the regions universities. Speakers in this session will highlight crystallographic studies of materials that are important to earth and environmental sciences.

 

TOP OF PAGE

 

3.2.1    Flesh & Blood: Intact and in-situ Connective Tiissue Diffraction Studies of Animals, Plants and Insect Bodies

Organizers:  Olga Antipova , Joseph Orgel 

 

TOP OF PAGE

 

3.2.2          Structural Studies of Radioelements

Organizers:  Paul Forster, Alice Smith          

Radioelements (elements for which no stable isotopes exist) are of considerable fundamental and practical interest, exhibiting interesting physical and chemical properties not fully understood resulting from their complex electronic structures. Crystallographically, radioelement compounds present experimental challenges due to their radioactivity and often are less frequently characterized. While basic chemical studies on radioelements provide a deeper understanding of the periodic table as a whole, applied studies are also critical to nuclear power, one of the few means of CO2-free power generation currently utilized. This symposium will focus on research efforts where structure elucidation has played a major role in advancing our understanding of radioelement compounds.

 

TOP OF PAGE

 

3.2.3          Computational, Chemical & Biological Crystallography: Complimentary Methods Bridging the Divide

Organizers:  Louise Dawe, Jason Mercer   

This half-day session will explore the application of techniques that span the fields of small molecule, macromolecular and computational X-ray crystallography. An emphasis will be placed on the application of methods from one domain to another, and an interdisciplinary approach to resolving structural models.

 

Invited Speakers:

Gerald Audette, York University

Jim Britten, McMaster University 

 

TOP OF PAGE

 

3.2.4    Exciting Biology from Challenging Systems II: Users

Organzer:  Ruslan Sanishvili

 

TOP OF PAGE

 

3.2.5          Chemistry and Biology with Novel Scattering Techniques

Organizers:  Nick Sauter, Jacob Urquidi    

Innovative application of new techniques provides new opportunities for biological and chemical investigation. The session will include new results in XFEL biology, solution scattering, grazing-incidence SAXS/WAXS, resonant soft X-ray scattering, and X-ray photon correlation spectroscopy.

 

TOP OF PAGE

 

3.3.1          Would You Publish This?

Organizer:  Christine Beavers           

An interactive session to address how members of the small molecule community handle structures of moderate or poor quality and limited scientific interest.

 

TOP OF PAGE

 

4.1.1          Solution Structure & Dynamics of Biomacromolecules II

Organziers:  Thomas Weiss, Gerald Audette

 

TOP OF PAGE

 

4.1.2          Innovative Ways of Finding Atoms from Powder Diffraction Data

Organizers:  Graham King,Peter Stephens

The complexity of crystal structures which can be solved from powder diffraction data has increased tremendously in recent years. The focus of this session is any method for solving a crystal structure from powder diffraction data when no starting model is available. These include simulated annealing, charge flipping, maximum entropy methods (MEM), or any other global optimization algorithm used for this purpose. Advances in these methods as well as scientific problems solved using these methods can be presented.

 

TOP OF PAGE

 

4.1.3          Neutrons in Biology: New Instruments & Structures

Organizers:  Zoe Fisher, Andrey Kovalevsky           

With the recent resurgence of macromolecular neutron crystallography that is seen world-wide, several new instruments have been commissioned and are now available to general users in Germany (Biodiff at FRM-II), USA (Imagine at HFIR/ORNL), and Sweden (ESS, Lund) in the future. The second of two "Neutrons in Biology" sessions has a strong focus on these new instruments and their capabilities and access modes. There will also be new structures that showcase the significance that neutrons play in providing a unique probe of water structure, hydrogen bonding, amino acid protonation, substrate binding.

 

TOP OF PAGE

 

4.1.4          New Algorithms in SAXS/WAXS

Organizers:  Lee Makowski, Marc Allaire, Jan Ilavsky 

The session will showcase advances in algorithms & analysis tools for SAXS and WAXS data. We solicit talks on theoretical advances in modeling methods and algorithms. Further, in recognition of importance of the tools for user community in large, we strongly encourage submissions about new/existing models/algorithms implementation in SAXS/WAXS analysis/modeling software.

 

TOP OF PAGE

 

4.1.5          Cool Structures

Organziers:  Richard Staples, Shao-Liang Zheng      

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, with only contributed abstracts accepted.

 

TOP OF PAGE

 

4.2.1          General Interest II

Organizer:  Graciela Diaz de Delgado         

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

 

TOP OF PAGE

 

4.2.2          Exciting Structures

Organizers:  John Rose, Daouda Traore        

The focus of this session is to provide young scientists an opportunity to present highly relevant structures of biological macromolecules, which may fall outside the scope of the other structural biology sessions. Oral presentations will be chosen from contributed abstracts.

 

TOP OF PAGE

 

4.2.3    Opportunities with New Sources

Organizer:  Soichi Wakatsuki

 

TOP OF PAGE

 

4.2.4          SAXS with Biomolecular Mixtures

Organziers:  Srinivas Chakravarthy, Javier Perez, Emre Brookes        

In order to obtain reliable structural information from SAXS data, it is crucial to ensure monodispersity of the sample. However, with the increasing complexity of samples being studied, it is often challenging to ensure this with generic biochemical techniques. This session will highlight strategies designed to cope with polydispersity issues inherent in mixtures, software tools to analyze these data, and biological results enabled.

 

4.2.5             Advances in X-ray and Neutron Scattering Techniques under Non-ambient Conditions
With the every expanding capabilities of modern experimental facilities and the development of faster and more sensitive detecting technologies has come a new generation of experimental protocols and sample environments for probing the structures of materials. These studies promise a deeper understanding of materials physics and chemistry through the elucidation of structural parameters from parametric measurements under precisely controlled conditions. This session will highlight recent advances in x-ray and neutron scattering techniques, and accompanying data analysis tools,  under non-ambient conditions, including ­in situ/operando studies, and extreme pressures, temperatures, and chemical environments.

Invited Speakers:
Angus Wilkinson (GATech), Alex Hexemer (LBL), Antonio Dos Santos (ORNL), Tomislav Friščić (McGill).
 

 

TOP OF PAGE

 

Undergraduate Reception- sponsored by the Society of Physics Students
Sunday 25th May, 12- 1:30 pm, Albuquerque Convention Center
All undergraduates and their mentors, as well as others who might be interested,  are invited to join us for a reception highlighting undergraduate research.  Undergraduates presenting posters at the meeting are encouraged to also present them here in this special undergraduate-focused session. In addition to poster presentations, Dr. Cora Lind-Kovacs will be giving a short talk with introductory remarks by ACA President Martha Teeter. Refreshments will be provided; pre-registration is mandatory.