PROGRAM click here to see schedule & abstracts(PDF)

sessions highlighted in green are educational sessions








 Serial Crystallography Data Analysis with

 Cheetah and CrystFEL: Concepts & Tutorials


Nadia Zatsepin

Tom Grant

Eddie Snell

Cornelius Gati


 Rietveld Refinement Analysis


Clarina Dela Cruz

Oliver Gourdon


 Small Angle Scattering: Structural Biology

  and Soft Matter



Richard Gillian


 First Time Attendee & Student

 Meeting Orientation  5:30pm




 Opening Reception and Exhibit Show






Warren Award Presentation & Lecture 08:00am

Laurence Marks, Northwestern Univ.



Morning Sessions - 09:00am - 12:00pm


Crystallography of Emergent Phenomena I


Tyrel McQueen

Jared Allred


Poster Preview Session


Louise Dawe

Bill Duax


Application of SANS/SAXS to Structural



Kushol Gupta

Alvin Acerbo


Structural Informatics for Drug Design

and Development


Mark Oliveira


Transactions I: Crystallography for



Cora Lind-Kovacs

Robin Rogers

 Lunchtime Session

Undergraduate and Graduate Student Reception


Krystle McLaughlin


Rigaku Lunch and Learn



 Afternoon Sessions - 01:30pm - 05:00pm


From Fingerprinting to Full ID: PXRD


Ind, Powder Service,

Richard Staples

Curt Haltiwanger


Engaging Undergraduates with

Crystallographic Research


General, CEC

Roger Rowlett

Joe Tanski


Transactions II: Crystallography for



Cora Lind-Kovacs

Robin Rogers


Molecular Machines


BioMac, YSSIG, Canada

Gerald Audette

Tim Maier


Soft Matter Structure and Dynamics,

Surface and Interface  CANCELLED


Lilin He

Zhang Jiang


1.2.4  Biological Macromolecules


Ed Collins

Andy Howard

Evening Session


Career Odyssey (5:00pm) 
Click here to view bios of speakers

Click here to view Q&A


Smita Kakar


POSTER SESSION I        05:30pm - 07:30pm





YSSIG Mixer (8:00pm) at City Tap House



George Lountos




Buerger Award Presentation and Lecture at 08:00am

Greg Petsko, Weill Cornell Medical College, and Emeritus, at Brandeis Univ.



 Morning Sessions - 09:00am - 12:00pm




Porous Materials at the Nano and Meso-scale



Fernando Uribe Romo

Craig Brown


Crystal Engineering Form & Function


Ind, Small Mol

Peter Wood

Tomislav Friščić


General Interest


Stacey Smith


Structural Dynamics


Light Source, BioMac,


Keith Moffat

George Phillips



Publication Practices

Service, YSSIG

Kimberly Lincoln

Larry Falvello

 Lunchtime Session


Young Scientists Scientific Interest Group Meeting

Materials, Neutron & Powder Scientific Interest Group Joint Meeting

 Afternoon Sessions - 01:30pm - 05:00pm


Advances in Multi-crystal Approaches and Serial Crystallography

Light Source

Nadia Zatsepin

Cornelius Gati


Materials Discovery and Crystal Growth


Paul Forster

Efrain Rodriguez


How I Spent my Summer Vacation:

Experiences Derived from Small

Molecule Summer Schools

Small Mol

Amy Sarjeant

John Lee


SAS with Membranes and Membrane



Fred Heberle

Shuo Qian


Mechanistic & Spectroscopic Structural



BioMac, YSSIG, Canada Div

Chris Bianchetti

Mohammad Taha

 Evening Sessions


Professional Development: Communicating Your Science - 5:00pm


Jarrod French

Andy Torelli


POSTER SESSION II -  05:30pm - 07:30pm

Bruker Open House - 5:30pm  Booth 500




Would You Publish This? - 8:00pm


Service, Canada, Small

Mol, GIG

Louise Dawe

Brian Dolinar




Margaret Etter Early Career Award at 8am

Yan Jessie Zhang, University of Texas at Austin



 Morning Sessions - 09:00am - 12:00pm




Etter Early Career Symposium


George Lountos

Andrey Yakovenko


Local Structure and Complex Materials


Graham King

James Neilson


Hot Structures I - Intracellular Protein Regulons



Hyun-Joo Nam

Yi Tian Ting


Standard Practices in Crystallography I:

Data Collection Strategies

Service, General, BioMac,

CEC, Data Standards


Peter Müller


Structural Modeling for SAS


Tomas Weiss

Xiaolin Cheng

 Afternoon Sessions - 01:30pm - 05:00pm




Important Science from Small Molecule Structures

YSSIG, Small Mol

Larry Falvello

Paulina Gonzalez

Alberto Albinati


Powder Pair Distribution Function and


Industrial, NMP

Simon Billinge

Peter Stephens


Hot Structures from Membrane Systems


Anna Baker

David Lodowski


Standard Practices in Crystallography I:

Data Collection Strategies


Service, General, BioMac,

CEC, Data Standards


Peter Müller


Evolving Techniques for SAS



Cheng Wang

Michal Sabat

 Evening Sessions


Evening Session on Diversity - 5:00pm


Krystle McLaughlin

Eileen Brady


Association Business Meeting for All Members





POSTER SESSION III -  05:30pm - 07:30pm





Plenary Lecture 8am:

Professor Juan Manuel Garcia-Ruiz, National Research Council of Spain and Univ. of Granada



 Morning Sessions - 09:00am - 12:00pm


Structural Glycobiology

BioMac, Canada

David Rose

Michael James


General Interest II


Peter Müller


In the Service of Science: Experiences

and Opportunities with Central Facility


Service, Light Sources,

BioMac, Ind

Christine Beavers

Banumathi Sankaran


Important Science from Small Molecular Structures Part II

YSSIG, Small Mol

Paulina Gonzalez

Alberto Albinati

Larry Falvello


(Bio)Chemistry in the X-ray Beam

BioMac Light Source,


Sean McSweeney

Elspeth Garman


Free viewing of the documentary

"The Mystery of the Giant Crystals"

with Prof. Garcia-Ruiz at 12:00pm



 Afternoon Sessions 01:30pm - 05:00pm


General Interest III


Peter Mueller

Stacey Smith


Cool Structures

Small Mol, YSSIG

Allen Oliver

Chris Durr


Structured Nucleic Acids




Eric Montemayor

Manal Swairjo


Imaging with X-rays and Electrons

Light Source

Vivian Stojanoff

L. Dean Chapman


Play it Cool? Ambient and Cryogenic Approaches


Doug Juers

James Fraser




 WK.02 Serial Crystallography Data Analysis with Cheetah and CrystFEL: Concepts and Tutorials

Orgnaizers:  Nadia Zatsepin, Arizona State Univ. ([email protected]), Thomas Grant, Hauptman Woodward Medical Research Inst. ([email protected]), Edward Snell, Hauptman Woodward Medical Research Inst. ([email protected]), Cornelius Gati, CFEL DESY ([email protected])

 Serial femtosecond crystallography has yielded several major and unique advances in structural biology previously unattainable with conventional technologies, including the potential for sub-picosecond time-resolved crystallographic studies, probing cyclic or even non-cyclic reactions. With the construction of more than a dozen new XFELs currently under way, and the multiple recent demonstrations of SFX at synchrotrons, the potential user base is growing significantly. The development and appropriate use of new software to tackle the unique problems of SFX data analysis is vital to making SFX practicable.
   The workshop will start with an introductory seminar, followed by most of the day dedicated to detailed hands-on tutorials with data sets collected at LCLS using the software suites Cheetah and CrystFEL, two of the most commonly used packages for SFX analysis. The concepts unique to SFX that we will be discussing are software independent.
   We will assume students have some basic knowledge of conventional crystallographic data analysis such as what indexing, integration, and merging are and will instead focus on the specific features of serial crystallography analysis. Practice data (from <> ) will be available. Students will be expected to bring laptops with appropriate software preinstalled. Students will be sent detailed information prior to the workshop.
   All participants must pre-register for the workshop and submit the following fee with their meeting registration form:
Student or Post-doc -  before May 31, $100, on or after June 1, $150
Academic others - before May 31, $150, on or after June 1, $200
Corporate - before May 31,  $250, on or after June 1, $300
    Workshop fees can be waived for a limited number of students (sponsored by the National Science Foundation BioXFEL Science and Technology Center). You will need to apply for the stipend through the BioXFEL STC, by contacting Jill Szczesek at [email protected]


WK.03  Rietveld Refinement Analysis

Organizers:   Clarina Dela Cruz, Oak Ridge National Lab ([email protected]) and Oliver Gourdon, Los Alamos National Lab ([email protected])

    This all-day workshop will introduce to the attendees the use to the Rietveld analysis technique. We will first emphasize the powder diffraction technique as well as the law and rules associated with it then move on to the Rietvield quantitative technique (solution and refinement of crystallographic data). Attendees will be asked to bring their own laptops with the software already downloaded. The workshop will be primarily targeted for novice users with limited experience in diffraction want to gain expertise in  using the Rietveld analysis technique.

    The Rietveld method is recognized as a being  at the forefront of the powder diffraction refinement technique. It is of extreme importance that more people are getting expertise into this technique to have a better understating of their technological materials of interest.

   For that purpose, the target audience will be primarily novice users with some limited experience in diffraction and would like to gain expertise in using the Rietveld analysis technique. Attendees of the workshop will be required to bring their own laptops and will be encouraged to install GSAS-II software before arriving at the conference.  Help will be provided at the workshop to help install the software for anyone who has had trouble. If time permits, we are also planning to present the Rietveld refinement approach using other software packages such as Fullprof and/or JANA2006.

   The format of the course will be to alternate between short overview lectures (mostly in the morning) and demonstration of the Rietveld technique using software support (mostly in the afternoon). Projectors will be used simultaneously, to show power point presentation slides as well as step to step process of the refinement procedure.

   All participants must pre-register for the workshop and submit the following fee with their meeting registration form:

Student or Post-doc - $125 before May 31,  $175 on or after June 1

All others - $165 before May 31,  $215 on or after June 1


WK.04  Small Angle Scattering: Structural Biology and Soft Matter

Organizer:  Richard Gillian, Cornell Univ. ([email protected])

 Small angle x-ray solution scattering (SAXS) continues to experience dramatic growth within both the structural biology and soft matter communities. While there tends to be relatively little interaction between these communities historically, the two share essentially the same basic theoretical foundation as well as a number of tools and techniques. This workshop will bring together leading SAS experts in both areas to prepare students for successful experiments. The morning portion of the dual-track/two-room workshop will be a joint session covering theory and practice common to both fields. After the joint session, the rooms will be divided and the two parallel sessions will cover specifics of the individual fields of soft matter and structural biology. In addition to synchrotron sources, this workshop is expected to have some content devoted to laboratory x-rays sources, but also particularly neutron sources and techniques. The workshop format will include lectures, and a selection of hands-on practical exercises.   Students will be expected to bring laptops with appropriate pre-installed software as necessary. Prior to the workshop, a website (prepared by Cornell) will be configured containing installation instructions and software for each tutorial. Throughout the workshop, the emphasis will be on knowing how to judge data quality, what to do about problematic samples, and basic requirements for acceptable publication of first-time data. Students will also learn tips and tricks for home laboratory data collection and be introduced to the various national synchrotron BioSAXS beamlines and neutron sources. This workshop will also aim to educate students about the particular advantages of neutron scattering and the extra steps necessary to carry out a first SANS experiment. Selected advanced modelling techniques will also be covered.


Course Topics

Basic Theory and Methods

·       Theory Essentials: understanding the scattering profile

·       What are all those plots? (Guinier, Kratky, & Porod plots)

·       Do Try This at Home: tips and tricks for lab-source data collection

·       SAXS and SANS: unique strengths and differences

·       National sources: how to get time, what to expect.

Tutorials (both parallel sessions)

·       Basic SAX/SANS analysis methods (molecular weights, plots, envelopes)

·       Advanced modelling

Biological Topics

·       Sample preparation and characterization

·       Assessing data quality, finding basic parameters

·       distance distributions and molecular envelopes

·       Docking, EOM and flexibility

·       Analysis of mixtures and separation

·       SANS contrast variation

·       Publishing data: what you should know

Soft Matter Topics

·       Sample preparation and characterization

·       SAXS, SANS and USAXS basics (Guinier, Porod approximations)

·       Introduction to Grazing Incidence SAXS (GISAXS)

·       Beyond linearization plots; hierarchical structures

·       Overview of models for specific systems

·       Advanced modeling

 All participants must pre-register for the workshop and submit the following fee with their meeting registration form:

Student or Post-doc -  before May 31, $130, on or after June 1 $180

Academic others - before May 31, $130, on or after June 1 $180

Corporate - before May 31,  $250, on or after June 1 $300


 T1, T2  Crystallography for Sustainability

Organizers:  Cora Lind-Kovacs (Univ. of Toledo; [email protected]), Robin D. Rogers McGill Univ. ([email protected])

Invited Speakers:  Tomislav Friscic, McGill Univ., Ashfia Huq, Oak Ridge National Laboratory, Peter Khalifah, SUNY Stony Brook, Hanno zur Loye, Univ. of South Carolina, Leonard MacGillivray, The Univ of Iowa, Holger Kleinke, Univ. of Waterloo, Anja Mudring, Iowa State Univ., Mohamed Eddaoudi, KAUST

     This multidisciplinary symposium will be focused on the cutting edge impact of crystallography-based research on global aspects of the sustainability of world resources, including green chemistry, the globalization of chemistry, and responsibilities and opportunities to serve the broader public.  In particular the symposium will cover such aspects as the lead role of crystallography in the design of materials and in the design of processes which reduce energy consumption, protect clean water supplies, provide unique environmental benefits, enable new medicines, or provide new greener routes to chemicals and materials. The Transaction Symposium will highlight the unique roles of crystallography in achieving major societal goals. Special attention will be given to providing international perspectives related to both areas of critical need, such as the supply of medicines and clean water and energy to all citizens of the world, and to overcoming the limitations or restrictions of raw materials for products which lead to improved quality of life. 


Undergraduate and Graduate Student Reception

Organizer:  Krystle J. McLaughlin, Lehigh Univ. ([email protected])

     All undergraduates, graduate students and their mentors, as well as others who might be interested, are invited to join us for a reception highlighting undergraduate research. Research posters by undergraduates will be highlighted here, presented in this special undergraduate-focused session. In addition to poster presentations, Dr. Willam Duax, Hauptman-Woodward Institute,will be giving a short talk for students. Refreshments will be provided; pre-registration is mandatory.


1.1.1  Crystallography of Emergent Phenomena I

Organizers: Tyrel M. McQueen, The John Hopkins Univ. ([email protected]) and Jared N. Allred, Argonne National Lab ([email protected])

     This session presents contributions discussing the intimate link between the crystalline structure--nuclear, electronic, and magnetic---to the properties that are observed. Often this connection is obscured by competing forces, deviations from crystallinity, and challenges in chemical characterization. The complex electronic phases that emerge from this medley can only be understood through careful attention to crystallographic clues such as phases transitions, broken symmetry, and the interplay between long- and short-ranged order.


1.1.3  Application of SANS/SAXS to Structural Biology

Organizers:  Kushol Gupta, Univ. of Pennsylvania ([email protected]) and Alvin Acerbo, Cornell Univ. ([email protected])

     Over the past decade, the use of small-angle scattering has undergone dramatic growth and arisen as an important component of the structural biologist's toolbox. This session is focused on applications of this technique to structural biology, with a special emphasis on contrast variation as well as new computational methods becoming available to reconcile high resolution structural information with solution scattering profiles and other experimental methods. 


1.1.4  Structural Informatics for Drug Design and Development

Organizer:   Mark A. Oliveira, Alkermes Inc., [email protected]

This session explores the use of structural informatics for the development and/or study of small molecules and proteins in industry and academia. Of particular interest is the use of the databases such as the PDB, CSD, PDF and in-house databases. Topics could include; crystal engineering, polymorphism, structure/property relationships, drug development and structure-based drug design


1.2.1  From Fingerprinting to Full ID:  PXRD

Organizers:  Richard Staples, Michigan State Univ. ([email protected]) and Curt Haltiwanger, Teva ([email protected])

     The aim is to highlight the power of Powder X-Ray Diffraction, PXRD, beyond simple fingerprinting of samples. This session will focus on the wide range of uses of powder diffraction in the many research environments where this technique is employed.  It is hoped that this session will cover the novel to extreme uses and the chemistry that can be learned from PXRD experiments. Topics could include variable temperature and humidity PXRD studies, analysis of particle size, characterization of amorphous materials, case studies on PXRD analysis, structure solution from powders, best practice data collection, the latest in instrumentation, detectors, and software.


1.2.2 Engaging Undergraduates with Crystallographic Research

Organizers:  Roger S. Rowlett, Colgate Univ. ([email protected]) and Joseph Tanski, Vassar College ([email protected])

     This session is focused on how to effectively engage undergraduates in research that involves protein or small-molecule crystallography. Specific topics may include strategies for instrument acquisition, student training and mentoring, integration of crystallography research into the curriculum, building crystallography research infrastructure at undergraduate institutions, and effective involvement of undergraduates at synchrotron facilities.


1.2.3  Molecular Machines

Organizers:  Timm Maier, Biozentrum, University of Basel, Switzerland, Gerald F. Audette, York University, Toronto, Canada

Invited speakers:

Song Tan, Dept of Biochemistry & Molecular Biology, Penn State University, University Park, PA 

Title: Structure of the Polycomb PRC1 E2-E3 ubiquitylation module bound to its nucleosome substrate


Juli Feigon, Department of Chemistry and Biochemistry, University of California, Los Angeles, CA 

Title: Architecture of Tetrahymena Telomerase Holoenzyme


    Large, multifunctional proteins and protein assemblies are required for complex tasks in biology. These highly dynamic nanoscale machines generate motion, synthesize complex or polymeric products, and modify RNA or DNA. This session is dedicated to studies of the structure, dynamics and mechanism of large macromolecular assemblies, biosynthetic factories or assembly lines and molecular machines. It highlights interdisciplinary approaches combining high resolution structure determination by X-ray crystallography with alternate approaches for the analysis of macromolecular structure and dynamics in solution. 


1.2.4 Structure and Dynamics of Soft Materials by Scattering Techniques

Organizers: Lilin He, Oak Ridge National Lab ([email protected]) and Zhang Jiang, Argonne National Lab ([email protected])

Invited Speakers: Michael Crawford, DuPont


1.2.4  Biological Macromolecules

Organizers:  Ed Collins, Univ. of North Carolina ([email protected]) and Andy Howard, Illinois Institute of Technology ([email protected])


1.3.1  Career Odyssey

Organizer:  Smita Kakar, National Cancer Inst., NIH ( [email protected])

     Career Odyssey will feature panelists from the crystallographic community within diverse career tracks. This will be an interactive session in which the speakers will share how they decided to pursue their current career path, what their jobs entail and useful tips for career transition. The platform will then open for discussion and questions from the audience.

2.1.1  Porous Materials at the Nano- and Meso-Scale
Organizers:  Craig Brown, NIST Center for Neutron Research ([email protected]) and  Fernando Uribe-Romo, Univ. of Central Florida ([email protected])

Invited speakers:  Mircea Dinca, MIT, David J. Wesolowski, ORNL

   From metal-organic frameworks and zeolites to porous carbons and natural rocks there is a traversal from well-ordered pores to less well-defined pore structures that can exist on both the nano- and meso-scale. The dimensionality, connectivity, surface chemistry and topology of these pores dictates their form and function ranging from industrial gas/fluid storage and separations technologies, ion conductors, battery components, to sensors. This session aims to explore the range of length-scales that give rise to these interesting properties of porous materials through application of diffraction, pair-distribution function, small-angle scattering, and macroscopic imaging techniques.


2.1.2  Crystal Engineering: Form & Function

Organizers: Peter Wood, CCDC ([email protected]) & Tomislav Friščić, McGill Univ. ([email protected])

Invited Speakers: Adam Matzger, Univ. of Michigan, Len MacGillivray, Univ. of Iowa and Mircea Dincă, MIT - lecture supported by CrystEngComm

    The area of crystal design and engineering is continuing to grow as an academic research area, but it is also now having a direct impact on industrial science with relevance in the pharmaceutical, agrochemical and energetic materials areas to name just a few. This symposium will focus on recent developments in topics including, but not limited to, co-crystal design, polymorphism, salts, solvates, crystal habit/morphology, solid-state reactivity and metal-organic frameworks.


2.1.3  General Interest

Organizer:  Stacey J. Smith, Brigham Young Univ. ([email protected])

     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.


2.1.5  Structural Dynamics

Organizers:  Keith Moffat, Univ. of Chicago ([email protected]), George Phillips Jr., Rice Univ. ([email protected])

 Invited Speakers: Ali Dashti, Univ. of Wisconsin-Milwaukee, Nadia Zatsepin, Arizona State Univ., Marius Schmidt, Univ. of Wisconsin-Milwaukee, Philip Coppens, SUNY-buffalo (tentative), David Reis, Stanford Univ. (tentative), + two speakers to be selected from submitted abstracts
    Although X-ray scattering is normally thought of as a static technique, X-ray-based dynamic studies of structural changes are becoming more common on time scales from seconds  (laboratory sources) to 100 picoseconds (synchrotrons) to femtoseconds (free electron lasers).  X-ray studies are often complemented by other techniques such as optical spectroscopies, electron microscopy, NMR and computational approaches; and all are applicable to problems of interest to structural biologists, materials scientists and chemists.  Speakers illustrate this breadth.


2.2.1  Advances in Multi-crystal Approaches and Serial Crystallography

Organizers: Cornelius Gati, Deutsches Elektronensynchrotron Germany, and Nadia Zatsepin, Arizona State Univ. ([email protected])

Invited Speakers:  John Spence, Arizona State Univ., USA, James Holton, Univ. of California, & Lawrence Berkeley National Laboratory, USA, Gleb Bourenkov, European Molecular Biology Laboratory, Germany, Gwyndaf Evans, Diamond Light Source, Harwell Science and Innovation Campus, England

     This session will cover the hottest developments in, and key practical aspects of, serial femtosecond crystallography (SFX) at XFELs and multi-crystal approaches at synchrotrons, including fixed target and liquid/LCP based serial macromolecular crystallography (SMX). Talks will include discussions of the adaptation of sample delivery systems and data analysis methods from XFEL SFX to synchrotron SMX, as well as exciting recent results in these fields.


2.2.2  Materials Discovery and Crystal Growth

Organizers:  Efrain E. Rodriguez, Univ. of Maryland ([email protected]) and Paul Forster, Univ. of Nevada ([email protected])

Invited Speakers: Prof. Kirill Kovnir,  Univ. of California Davis, Prof. Susan Latturner, Florida State Univ., Prof. Patrick M. Woodward, The Ohio State Univ., Josh Goldberger, Ohio State Univ.

     This half-day symposium deals with the preparation and single crystal growth of materials such as transition metal oxides, chalcogenides, metal-organic frameworks, and covalent-organic frameworks.  In all cases, we are interested in how crystal structure informs our understanding of the functional materials properties.


2.2.3  How I Spent My Summer Vacation - Experiences Derived from Small Molecule Summer Schools
Organizers:  Amy Sarjeant, Northwestern Univ. ([email protected]) John Lee, Univ. of Tennessee Chattanooga ([email protected])

Invited Speakers:  Dean Johnston, Otterbein Univ. ([email protected]), Sandy Eagle, East Tennessee State Univ. ([email protected]), Stephanie Hurst, Northern Arizona Univ. ([email protected])

     This session will focus on how the experiences and knowledge gained at a small molecule summer school have impacted academic research programs.


2.2.4  SAS with Membranes and Membrane Proteins

Organizers: Frederick Heberle, Oak Ridge National Lab ([email protected]) and Shuo Qian, Oak Ridge National Laboratory ([email protected])

   Membranes and membrane proteins continue to present new and unexpected challenges to researchers seeking to understand their structure and organization. Small angle x-ray and neutron scattering are at the leading edge of these efforts, allowing for structural studies in biologically relevant solutions or membrane-mimetic conditions without the use of extrinsic probes. This session focuses on current and emerging methods to study membranes and membrane proteins with scattering and other complementary techniques.

Invited Speakers:  Drew Marquardt (Univ. of Graz), Marc Lensink (CNRS, France)


2.2.5  Mechanistic & Spectroscopic Structural Enzymology

Organizer:  Mohammed Taha, Univ. of Texas at Dallas ([email protected]).

     This session focuses on the structural characterization of new enzymatic mechanisms, insights into transition state stabilization, the chemical steps involve in breaking and forming bonds, and the visualization of transient reactive intermediates. Biochemical data, including spectroscopic methods, correlating a proposed reaction mechanism may be presented. The model must account for the data, and elucidate new mechanisms, or resolve previous models. The mechanisms may occur in general biological process such as cell signaling, replication, drug resistance etc.


2.3.1  Professional Development: Communicating Your Science

Organizers:  Jarrod B. French, Stony Brook Univ. ([email protected]) and Andrew T. Torelli, Bowling Green State Univ. ([email protected])

Effective communication is central to success in science and is frequently tested during many activities we pursue in our careers. Applying for funding, collaborating across disciplines, publishing scientific results and serving as educators are a few familiar examples. As scientists, we also have a responsibility to share the results and implications of our work in order to engage the public and encourage sound decision-making, especially by those in charge of policy. This professional development session brings together experts from diverse career paths to share insights and advice on how to more effectively communicate science to specific audiences. Our speakers will collectively provide best practices to ensure our important messages reach our target audience, with specific consideration for policy-makers, program officers, contract-research clients and the general public. 


2.3.2  Would You Publish This?

Organizers:  Louise Dawe, Wilfrid Laurier Univ. ([email protected]) and  Brian Dolinar, Univ. of Wisconsin-Madison ([email protected])

      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. 

3.1.1  Etter Early Career Symposium

Organizers:  George Lountos, Leidos Biomedical Research Inc. ([email protected]) and Andrey Yakovenko, Argonne National Laboratory (a[email protected])

      This session will highlight work of early career scientists. Students (Undergraduate & Graduate level) and postdoctoral researchers in any field of crystallography are welcome to submit abstracts. All oral presentations in this session will be selected from contributed abstracts.


3.1.3  Hot Structures - Intracellular Protein Regulons

Organizers:  Yi-Tian Ting, Univ. of Auckland NZ, ([email protected]) and Hyun-Joo Nam, Univ. of Texas at Dallas ([email protected])

Invited Speakers:  Blake Wiedenheft, Montana State Univ., Richard D. Bunker, Friedrich Miescher Institute for Biomedical Research Basel, Switzerland

     Intracellular proteins play a significant role in coordinating a cell's response to its environment. These regulons are crucial for cell survival and are carefully controlled at multiple level. This half-day session will focus on crystal structures of intracellular proteins and other soluble secreted proteins, that participate in the cell signaling system or cell metabolism.


3.1.2  Local Structure and Complex Materials

Organizers:  Graham King, Los Alamos National Lab ( ), James Neilson, Colorado State Univ. (

Invited Speakers: Dr. Kirsten M. Ø. Jensen - Columbia Univ., Dr. Igor Levin - National Institutes of Standards and Technology, Dr. Corey Thompson - McMaster Univ., Dr. Olaf Borkiewitcz - Advanced Photon Source

     With recent advances in total scattering instrumentation at both large-scale facilities and in individual laboratories, investigation of the local structure continues to elicit the missing structure-property relationships in complex materials.  In materials with disorder, short-range ordering, and nanoscale features, the characteristics responsible for macroscopic phenomena are often missed by Bragg diffraction.  The use of the pair distribution function (PDF) analysis method and single-crystal diffuse scattering has provided extensive insight into these challenging crystallography problems.


 3.1.4  Standard Practices n Crystallography I: Data Collection Strategies and Data Reduction

Organizer: Peter Mueller ([email protected]).

Invited Speakers: Dominika Borek (UT Soutwestern), Zbigniew Dauter (National Cancer Institute) and George M. Sheldrick (Universität Göttingen)
   This full-day session is the first of a series of educational sessions organized by the Standing Committees "Continuing Education" and "Data Standards and Computing" and co-sponsored by the Scientific Interest Groups "General Interest", "Service Crystallography", "Small Molecules" and "BioMac".  Papers are invited pertaining to data collection strategies and data reduction for single crystal structure determination, both for small molecule and biological crystallography.  With modern detectors, advanced low temperature techniques and ever faster and easier computer programs the problems addressed by crystallographic methods have become more and more difficult.  In this context, the quality of the primary data plays a crucial role. This session focuses on the steps between mounting the crystal and the corrected intensity file.

   This is an educational session and the "One-Scientist-One-Abstract dogma" does not apply. Therefore, speakers at the Data Collection Strategies session may present an additional talk or poster at the 2015 ACA meeting.

3.1.5 Structural Modelling for SAS
  Thomas Weiss, Stanford Synchrotron Radiation Lightsource, Stanford Linear,  Accelerator Center, ([email protected]) and Xiaolin Cheng, Oak Ridge National Laboratory ([email protected])
   In recent years Small Angle Scattering (SAS) has become an established and indispensable part of the structural biologist's toolbox. The widespread availability of powerful computational tools for structural modelling of SAS data has played an decisive role in this development. This session will highlight new developments of modelling tools and the application of computational methods to extract structural information from SAS data.


3.2.1  Important Science from Small Molecule Structures

Organizers: Paulina Gonzalez, Texas Christian Univ. ([email protected]), Alberto Albinati, Univ. of Milan ([email protected]) and Larry Falvello, Univ. of Zaragoza 

Invited Speakers: Marilyn M. Olmstead, Univ. of California, Davis, Bruce M. Foxman, Brandeis Univ., Garry J. McIntyre, Australian Nuclear Science and Technology Organisation, Prof. Feliu Maseras, Catalan Institute for Chemical Research, Ivica Djilovic, Univ. of Zagreb, Croatia, Suzanne C. Bart, Purdue Univ.,  Peter W. Stephens, Stony Brook Univ.

     This half-day session will spotlight small-molecule structure analysis in its scientific setting.  Structure analyses derive their importance on one hand from the immediate characterization that they provide and in addition from their added value in the broader context of a studies involving synthesis, spectroscopy, other physical properties and theory. This instalment of the "Important Science" program will welcome presentations on any scientific aspect of chemical structure, including chemical and physical studies to which structure contributed in important ways. Presentations on any aspect of structure, including theory and non-crystallographic studies, are welcome.


3.2.2   Powder Pair Distribution Function and Pharmaceuticals

Organizers:  Peter Stephens, Stony Brook Univ. ([email protected]), Simon Billinge, Columbia Univ. and Brookhaven National Laboratory ([email protected])

Invited Speakers: Simon Billinge (Columbia Univ.), Pavol Juhas (Brookhaven National Laboratory), Ahmad Sheikh (AbbVie Inc, Chicago), Eugene Cheung (Amgen)

     X-ray powder diffraction has a large place in pharmaceutical research and practice. It is used to determine solid-state structures of active pharmaceutical ingredients (APIs), for quality control, stability studies and intellectual property protection through fingerprinting. It is fair to say that nearly all the pharmaceuticals that we take have been touched at some point by powder x-ray diffraction. Recently, research focus has also shifted to solid drug forms that are not well ordered crystals. Amorphous and nanocrystalline drugs have much greater solubility than their crystalline cousins, and this is increasingly an issue as many drugs in the development pipeline are pharmacologically active, but highly insoluble. With this shift comes a need to characterize APIs that are amorphous or have only very short-range crystalline order. Also, it is becoming necessary to stabilize these metastable drugs in complex formulations such as supported in polymer matrices, making even more difficult the need to characterize these materials. Recently powder x-ray diffraction methods based around the atomic pair distribution function (PDF) method have been developed that show promise in this regard.

     This session will highlight recent developments in the application of powder x-ray diffraction methods, both crystallography and emerging local structure approaches, to the study of pharmaceuticals.


3.2.3  Hot Structures from Membrane Systems

Organizers:  David Lodowski, Case Western Reserve Univ. School of Medicine ([email protected]), Anna W. Baker, Univ. of Wisconsin-Madison ([email protected])

Invited Speakers:  Ankita Srivastava, Takeda, Inc., Bill Clemons, California Inst. of Technology, Martin Caffrey, Trinity College Dublin, Elisabeth Lowe, Newcastle Univ.

     With the implementation of new X-ray sources and membrane protein crystallization methodologies over the past decade, we have seen an exponential increase in the number of structures from challenging membrane systems. Elucidating membrane protein structures advances our understanding of mechanisms of transmembrane signaling, transport, and secretion and is critical to understanding human health and disease; further, these structures represent key targets for the development of therapeutics.

3.2.4  Standard Practices in Crystallography I: Data Collection Strategies and Data Reduction

Organizer: Peter Mueller ([email protected]).

Invited Speakers: Dominika Borek (UT Soutwestern), Zbigniew Dauter (National Cancer Institute) and George M. Sheldrick (Universität Göttingen)
   This full-day session is the first of a series of educational sessions organized by the Standing Committees "Continuing Education" and "Data Standards and Computing" and co-sponsored by the Scientific Interest Groups "General Interest", "Service Crystallography", "Small Molecules" and "BioMac".  Papers are invited pertaining to data collection strategies and data reduction for single crystal structure determination, both for small molecule and biological crystallography.  With modern detectors, advanced low temperature techniques and ever faster and easier computer programs the problems addressed by crystallographic methods have become more and more difficult.  In this context, the quality of the primary data plays a crucial role. This session focuses on the steps between mounting the crystal and the corrected intensity file.

   This is an educational session and the "One-Scientist-One-Abstract dogma" does not apply. Therefore, speakers at the Data Collection Strategies session may present an additional talk or poster at the 2015 ACA meeting.


3.2.5  Evolving Techniques in Small Angle Scattering (SAS)

Organizers:  Cheng Wang, Lawrence Berkeley National Laboratory ([email protected]), Michal Sabat, University of Virginia ([email protected])

Invited Speakers:

Wim Bras, Group Leader, DUBBLE ESRF, Grenoble, France
Topic: SAXS and Sample Environments for Time Resolved Experiments   

Hiroshi Okuda, Kyoto University, Japan
Topic: Microstructure Evolution of Thin Films Examined by GISAXS With Tender X-rays

Daniel F. Sunday and R. Joseph Kline, National Institute of Standards and Technology, Gaithersburg, MD
Topic: Characterizing Directed Self Assembly Block Copolymers with Soft X-rays

Kamila Wiaderek, Group for Structural Science, Argonne National Laboratory, Argonne, IL
Topic: SAXS Insights Into Meso- and Nano-Structure Dynamics in Iron-Based Electrochemical Conversion Reactions

David Green, Department of Chemical Engineering, University of Virginia, Charlottesville, VA
Topic: SAXS, Polymer Nanocomposites, Wetting Phase Transitions, and Nanoparticle Dispersion - What Have We Learned So Far?

Peter Mario Worsch, Anton Paar Company

Topic:  Recent Developments in Laboratory SAXS Instrumentation - What Is Possible Today?


Tobias Madl, Technical University Munich, Germany

Topic: Integration of SAXS with Complementary Techniques for Structural Characterization of Large Biomolecular Complexes


Since the pioneering research of Andre Guinier on metallic alloys in the late 1930s, small angle scattering (SAS) has evolved as a widely-used, high resolution, nondestructive structural probe for a broad range of applications in materials, as well as in biological and environmental sciences. Over the past decade - thanks to the development of the 3rd generation synchrotron sources, spallation neutron sources, free electron lasers, as well as advanced detectors - there has been a big surge in efforts to revamp this 80-year-old technique. Several new approaches have been developed, including the use of resonant X-rays to provide both chemical and spatial information of materials, the development of advanced in-situ sample environments, such as in-vacuum and high pressure applications, and the use of coherent X-rays to capture the temporal correlation for kinetics and dynamics, such as fluctuation scattering. These developments were stimulated by the introduction of high performance computation tools for scattering modeling. Several efforts have been made to unravel the complementarity of SAS with other X-ray techniques, such as X-ray computed tomography (XCT).


This session aims to bring experts in the forefront of SAS developments to discuss recent advances and to foster novel ideas for solving the challenges of increasingly more complex structures in modern materials science and structural biology.


3.3.1  Diversity and Inclusion Evening Session

Organizers:  Krystle J McLaughlin, Lehigh Univ. ([email protected]), YSSIG Co-chair Eileen Brady, Rice Univ. ([email protected])

Invited Speaker:  Catherine Drennan, HHMI, MIT

     This session includes talks on successful strategies for approaching diversity issues (e.g. inclusion, retention, stereotype threat) either through training, mentoring or research, and for engaging diverse populations through outreach using crystallography.  


4.1.1  Structural Glycobiology: Techniques and Results

Organizers:  David Rose, Univ. of Waterloo ([email protected]), Michael James, Univ. of Alberta ([email protected])

Invited Speakers:  Helen Blanchard of Griffith University, Queensland, Australia, Brian Mark, University of Manitoba, Canada

     From the back woods of Biology and Biomedical Research just a decade ago, Glycobiology is now one of the hottest areas of interest in discovery and applied research. Crystallography and other structural techniques have contributed much to the maturation of this field, including many contributions from Canada, which has a long history in Glycobiology. The session will feature exciting results, but also some of the technical challenges of studying, reporting  and archiving Glyco-related structures at the atomic level.


4.1.3  In the Service of Science: Experiences and Opportunities with Central Facility Services

Organizers:  Christine Beavers,LS/COMPRES, ([email protected]),  Banumathi Sankaran, (Berkeley Centre for Structural Biology, LBL) b[email protected]

            Synchrotrons, neutron sources and other central facilities are often burgeoning hubs of scientific development, with a potent combination of advanced scientific infrastructure and diverse scientific minds.  Beamlines are often populated by user groups who have the means to travel and embed themselves into this culture of innovation. The opportunities presented by these establishments are not limited to only those who have large grants or needs for weeks of beamtime. Crystallographic services of all kinds exist to support research groups who require central facility data, but not in the conventional formats. This session serves two purposes: to promote excellent science that resulted from a crystallographic service and to publicize the services that are available to the wider crystallographic community. 


4.1.4  Publication Practices

Organizers:  Kimberly Lincoln, Texas Christian Univ ([email protected]), Larry Falvello, Univ. of Zaragoza ([email protected])

Invited Speakers: Phil Fanwick, Purdue Univ.,  Suzanna Ward, Cambridge Crystallographic Data Centre, Sandy Blake of Nottingham Univ., Anthony L. Spek, Utrecht Univ.

      This half-day session continuing the "Publication Practices" series is open-ended in topics. We welcome presentations on policy questions such as authorship issues, publication ethics, and reviewer and editor practices. In addition, presentations on the technical aspects of publication -- preparing, screening and editing results for publication or deposition -- will also be welcome.


4.1.5  (Bio)Chemistry in the X-ray Beam

Organizers:  Elspeth Garman, Univ. of Oxford, UK ([email protected]) and Sean M. McSweeney, Brookhaven National Lab ([email protected])

Invited Speakers:  Prof C. Wilmot, Univ. of Minnesota, Prof R. Throne, Cornell Univ.

     The chemistry and the dynamics of biological processes can be studied through the application of multidisciplinary techniques to macromolecular crystallography.  
     The combination of X-ray diffraction and uv/vis or raman spectroscopy presents strong additional information for understanding mechanism.
     The effects of irradiation on macromolecules cause effects that must be understood in order to allow for the correct interpretation of these structures. However the photoelectrons generated from X-ray absorption also offer the opportunity to develop deeper insights into the form, function and dynamics of biomolecules. 

4.2.2 Cool Structures (Small Molecule)

Organizers:  Christopher Durr, The Ohio State Univ. ([email protected]), Allen Oliver, Univ. of Notre Dame ([email protected])

     Papers are invited pertaining to "Cool Structures". A "Cool Structure" is any crystal structure that the authors find fascinating, interesting or noteworthy in any aspect of crystallography. This is a broadly defined session which will accommodate a series of 15-20 minute talks. Talks will only be selected from contributed abstracts.


4.2.3 Structured Nucleic Acids

Organizers:  Eric Montemayor, Univ. of Wisconsin-Madison ([email protected]), Manal Swairjo, Western Univ. of Health Sciences ([email protected])

     This session will feature recent advances in understanding the structure, function and biogenesis of nucleic acids.  Preference for oral presentations will be given to large assemblies (particularly those containing both protein and nucleic acid) that provide insights into how structure drives and regulates transcription, translation or genome editing. 


4.2.4  Imaging with X-rays and Electrons

Organizers:  Vivian Stojanoff, Brookhaven National Lab ([email protected]), L. Dean Chapman, Univ. of Saskatchewan ([email protected])

   In the past several years imaging techniques have expanded at synchrotron facilities, in the laboratory and more recently at free electron laser facilities. The development of new detectors, new approaches to phase based methods, and developments in instrumentation allow ever smaller structures, higher contrast and new ways to visualize systems from the atomic to the anatomic. This session will focus on the multidisciplinary applications of x-ray diffraction imaging methods, applications and future outlook. Two or three short talks will be chosen from the contributed papers. 


4.2.5  Play it Cool? Ambient and Cryogenic Approaches

Organizers:  James S Fraser, Univ. of California San Francisco ([email protected]) and Douglas H Juers, Whitman College ([email protected])

     Cryocrystallography can produce very high-resolution diffraction data yielding detailed descriptions of macromolecules. Additionally cryocooling has enabled many of the streamlined transportation, remote sample changing and automated data collection strategies at synchrotrons. However, cryogenic cooling is not always successful. Additionally, low temperature structures have bias that may not be relevant for function at ambient temperature. This session will address developments in both cryogenic and ambient data collection as well as the biological relevance of low temperature crystal structures.  Tip