Newsletter 89
February 14, 2005


The NIH X-Ray Diffraction Interest Group

Newsletter web site: http://mcl1.ncifcrf.gov/nihxray

Item 1: January 2005 Publications by Members:

 

1:  Tozser J, Tropea JE, Cherry S, Bagossi P, Copeland TD, Wlodawer A, Waugh DS.
Comparison of the substrate specificity of two potyvirus proteases.
FEBS J. 2005 Jan;272(2):514-23. PMID: 15654889

2:  Qasba PK, Ramakrishnan B, Boeggeman E.
Substrate-induced conformational changes in glycosyltransferases.
Trends Biochem Sci. 2005 Jan;30(1):53-62. PMID: 15653326

3:  Baker T, Dauter Z.
Redefining Acta D.
Acta Crystallogr D Biol Crystallogr. 2005 Jan;61(Pt 1):1. PMID: 15608369

4:  Gozansky EK, Louis JM, Caffrey M, Clore GM.
Mapping the binding of the N-terminal extracellular tail of the CXCR4 receptor to stromal cell-derived factor-1alpha.
J Mol Biol. 2005 Jan 28;345(4):651-8. PMID: 15588815


Item 2: Tips and Tricks

Xinhua Ji (NCI): The Beauty of BEAST - Outliers among diffraction data are usually of lower resolution and relatively stronger and thereby have greater impact on the functions derived from intensities. One consequence of this impact is the lack of phasing power of molecular replacement (MR) solution. We recently encountered this problem with an MR solution obtained using a search model equivalent to ~50% the structure. With AMoRe, we found an solution; but we were not able to complete the structure using either the difference Fourier synthesis or other programs. Assuming that the MR solution was not accurate, we tried MR again excluding potential outliers. BEAST identified 22 potential outliers and rejected them from likelihood calculations. The MR solution was outstanding and the difference map derived from the partial structure reveals the missing portion of the structure.

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 3: Topic Discussion

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).