ACA 2009 Conference Logo ACA American Crystallographic Association Logo

2009 ACA Meeting, July 25 - 30, 2009, Sheraton City Centre Hotel, Toronto, Ontario, Canada : http://www.cins.ca/aca2009/

Workshops

As of July 8th 2009: ACA 2009 Toronto Final Program Schedule (pdf)

As of July 8th 2009: ACA 2009 Toronto Program At A Glance (pdf)

Workshop Registration Costs

Workshops                                                        after May 31
WK.01 JANA (Friday 24th July & Saturday 25th July)   US$200        US$250 
WK.02 Twinning (Saturday 25th July)                  US$110        US$130

MX Frontiers at the One Micron Scale, Brookhaven National Laboratory, July 23-24 2009

http://www.nsls.bnl.gov/newsroom/events/workshops/2009/mx/

We invite you to learn from the foremost structural biologists using micro-focused x-ray beams and from the most experienced designers of their beamlines about the unique scientific and experimental capabilities at the one-micron scale. We invite you to take part in discussions of these recent developments. We invite you to weigh in on how they may be translated to the design new crystallographic beamlines at NSLS-II in ways that will optimally serve your needs and fully exploit the uniquely small, stable, and brilliant beams

Themes

  • New scientific opportunities
  • Physics of radiation damage
  • X-ray optical requirements
  • Challenges in instrumentation
  • New crystallographic methods

JANA - Incommensurate Crystal Structures - Friday July 24, 2009 to Saturday July 25, 2009

WK 01 - Chairs: Jim Kaduk, Olivier Gourdon
Speakers: Michal Dusek, Václav Petrícek, Juan Manuel Perez-Mato and Olivier Gourdon

The purpose of this TWO DAY workshop is to present an overview of the methods of structure determination and structural analysis of imcommensurately modulated structures and composite crystals. Lectures will cover the basic principles of the superspace description of modulated structures as well as advanced topics, like the method of Charge Flipping and the Maximum Entropy method in superspace. In addition to the lectures, the participants will have the opportunity to practice structure refinements using the computer program JANA2006 (written by V. Petricek, M. Dusek, and L. Palatinus, Prague). A step-by-step tutorial with several examples will be provided, but data sets from the students will be welcome, too.

Schedule

Friday, July 24 8:30 am- Welcome
8:45 am- Introduction to Jana 2006 (Michal Dusek)
9:30 am- Upgrade and/or installation of Diamond and Jana 2006
9:45 am- Introduction to Example 3- PtCu -3d Structure with disorder
10:00 am- Coffee Break
10:15 am- Practical exercise on Example 3- PtCu -3d Structure with disorder and Review of Examples 1,2.
12:30 am- Lunch
1:45 pm- Introduction to Modulated Structure (Václav Petrícek)
2:30 pm- Introduction to Example 4- YPO -(3+1)d Simple Modulated Structure.
3:00 pm- Coffee Break
3:15 am- Practical exercise on Example 4- YPO -(3+1)d Simple Modulated Structure.
5:30 pm- End of the first day.

Saturday, July 25
8:45 am- Aperiodic crystals and superspace symmetry (Manuel Perez Mato)
9:30 am- Introduction to Example 5- KSm - Modulated structure solve from powder data
10:00 am- Coffee Break
10:15 am- Practical exercise on Example 5- KSm - Modulated structure solve from powder data
12:30 am- Lunch
1:45 pm- Incommensurate tools to investigate families of commensurate compounds (Olivier Gourdon)
2:30 pm- Introduction to Example 6- Ephedrine - Commensurately modulated structure
3:00 pm- Coffee Break
3:15 am- Practical exercise on Example 6- Ephedrine - Commensurately modulated structure
5:30 pm- Closing remarks.


Handling Twinning in Macromolecular Crystallography - Saturday July 25, 2009

WK 02 - Chairs: George Sheldrick, Garib Murshudov, Peter Zwart

Twinning is a frequent problem in macromolecular crystallography that can easily be misunderstood and even lead to panic reactions. The aim of this workshop is to provide an understanding of twinning in a macromolecular context, and to show how one can often obtain entirely satisfactory and publishable structures despite twinning. Half the time will be spent in small tutorial groups getting to know the computer programs for diagnosing, processing and refining twinned structures. Participants are encouraged to bring laptops and problem datasets. It is particularly timely that the latest versions of REFMAC and PHENIX_REFINE now include facilities for refining twinned structures; SHELX solution and refinement of twins will also be demonstrated.

Acknowledgement is made to Bristol-Myers Squibb Pharmaceutical Research Institute for its donation of 30 laptops to the workshop and a donation from Dr Herbert E. Klei for financial support of the workshop.

Schedule

Saturday, July 25
8:30-9:05 Introduction to twinning. Regine Herbst-Irmer
9:05-9:40 Detection of twins. Todd Yeates
9:40-10:15 Twins and the phase problem. Zbigniew Dauter
10:15-10:45 Coffee Break
10:45-11:20 Processing non-merohedral twins and refinement withSHELX. George Sheldrick
11:20-11:55 Twin refinement with REFMAC. Garib Murshudov
11:55-12:30 Twin refinement with PHENIX_REFINE. Peter Zwart

12:30-14:00 Lunch and discussion

14:00-14:45 Computer demo I
14:45-15:30 Computer demo II
15:30-16:00 Coffee Break
16:00-16:45 Computer demo III
16:45-17:15 Further discussions at posters
17:15-17:30 Summing Up. Herb Klei



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Contact the ACA 2009 organisers

The American Crystallographic Association (ACA) is an affiliate member of the IUCr and adheres to the IUCr Scientific Freedom Policy and is a member of the American Institute of Physics