At the request of reviewers, I worked up the average B factor for some
structures using CCP4 programme BAVERAGE. Here's one example:
Protein 33.1
Solvent 53.9
Ligand 32.9
I think the reviewer's question was directed at the quality of the model
for the ligand, but I notice that the average B for solvent (mostly
water, but also glycerol and sodium) is quite a bit higher. This was
refined in REFMAC5 with anisotropic thermal factors. Does REFMAC5 place
restraints on water that inflate its B values?
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All Things Serve the Beam
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David J. Schuller
modern man in a post-modern world
MacCHESS, Cornell University
schul...@cornell.edu
