|
Newsletter 94 April 25, 2005 |
The
NIH X-Ray Diffraction
Interest Group
Newsletter
web site: http://mcl1.ncifcrf.gov/nihxray
|
Item 1: Local Meetings and Seminars
1. The 35th Mid-Atlantic
Crystallography Meeting <http://www.niaid.nih.gov/dir/labs/lig/crystal/default.asp> May 11-13.
2. The NIH meeting "Structural Analysis of Large Macromolecular Assemblies: Sizing Up the Challenges" <http://pub.nigms.nih.gov/generic_meeting/index.cfm?id=7> June 2-3.
Item 2: March 2005 Publications by Members:
1: Williams DC Jr, Cai M, Suh JY,
Peterkofsky A, Clore GM.
Item 3: Tips and Tricks This section is always open for contributions. Click for Introduction and tips and tricks in Crystallization, Derivatization, Diffraction, Symmetry, Structure Solution, Structure Refinement, and Structure Analysis.
Item 4: Topic Discussion HKL2000 has a built-in feature (Reprocess) to reintegrate raw date (frames) with unit cell parameters fixed at the values obtained after postrefinement using Scalepack. Any comments, experience, or recommendations?
David Garboczi (NIAID): I used to do this with the
script form of denzo. I've read and thought that refining the
cell during integration was a little suspect. After all, if one
can't trust that the cell dimensions are fixed enough to define
your crystal, maybe that crystal isn't worth it. Mosflm finds
the cell dimensions first and then integrates. I would
definitely recommend reprocessing and would like to know about
the other buttons in HKL2000 For instance, our absorption
correction button clicks like it works, but the logfile says
"Unknown keyword: absorption".
We are using XDS a lot as well and like its
complete and current documentation. Its radiation damage
correction algorithm has helped our anomalous signal, such that
I doubt we would have solved several structures without it.
http://www.mpimf-heidelberg.mpg.de/~kabsch/xds/
Click for previous discussions on: Parallel Protein Expression, Structural Genomics, NCS, Missing Atoms, Trends in Crystallography, and Absorption Correction.
|
This site is maintained by Dr. Xinhua Ji (jix@ncifcrf.gov) on the NCI-CCR-MCL server (http://mcl1.ncifcrf.gov). |