[phenixbb] high average b-factor vs. Wilson B

Geoffrey Feld gkfeld at berkeley.edu
Tue Aug 3 22:20:40 PDT 2010

Dear PhenixBBers,

I'm working on a 1.45 A structure I solved using MR (phaser) and I'm pretty
close to finishing, just plopping in waters and fixing rotamers. Rw = 19.8
Rfree= 22.8. I am a little concerned because my Wilson B is 27.00 while my
average B for macromolecule is more like 43, and for solvent is 48. I have
enough data to use anisotropic ADP refinement, which was a big help in
bringing down the Rfree, but the average B hasn't really moved much. Should
I be concerned about this? Should I try adjusting the wxu, or some other

Geoffrey K. Feld

Department of Chemistry
492 Stanley Hall
University of California, Berkeley

"Vigilia pretium libertatis"
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