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Updated October 18, 2005
 

Macromolecular Crystallography II: New Strategies for Data Processing with Automated Software Tools

Saturday, October 22, Building 90 Room 26
Three sets of x-ray diffraction data will be distributed to registered participants.  Each data set will highlight one of the three major pitfalls of protein crystal data analysis: overlaps, insufficient signal and radiation damage.  In each case, a control data set lacking the problem will also be provided.  Participants will process each data set and learn how to identify the tell-tale signs of “problem” data by comparing the processing statistics from common x-ray programs (such as Elves, CCP4, and Phenix) derived from the “problem” and “control” data sets.  Authors of Elves and Phenix will be on hand for discussion and assistance with the programs.  Data processing will not be limited to these programs.  Participants are encouraged to work on these data sets with their favorite programs at home before coming to the workshop.  Strategies for mitigating and avoiding these problems when collecting data will be discussed.  Only 16 computers will be available so a maximum of 32 participants will be divided into equivalent morning and afternoon sessions.

"Homework" data sets are available at http://bl831.als.lbl.gov/~jamesh/workshop/ .

Tentative Schedule

Time

Group 1

Activity

9:00 am Data set 1 : overlaps
10:00 am Data set 2 : insufficient signal
11:00 am Data set 3 : radiation damage
   

Noon

Lunch break

 


Group 2

 
1:00 pm Data set 1 : overlaps
2:00 pm Data set 2 : insufficient signal
3:00 pm Data set 3 : radiation damage

The workshop will take place in the computer room in the lower level of building 90. A map will be posted shortly.

Organizer: James Holton