[phenixbb] Question abount B-factor refinement - B-factors = 0
PAfonine at lbl.gov
Mon Feb 4 13:17:35 PST 2008
> 1.The maps look great for the residues were some of the B-factors are 0.
To me it looks very weird. I have no explanation for this. Again, this
goes to the point where I need to play with the refinement myself to be
able to say more.
> 3. OK, I'll play around with that. Any idea what target I should use? Minimize R-free or just push all Bs above 0?
> Does anyone know a publication which covers theoretical B-factor distributions?
Here are a few links related to your question that came to my mind first:
D. E. Tronrud
J. Appl. Cryst. (1996). 29, 100-104
Knowledge-Based B-Factor Restraints for the Refinement of Proteins
F. L. Hirshfeld
Acta Cryst. (1976). A32, 239-244
Can X-ray data distinguish bonding effects from vibrational smearing?
S. PARTHASARATHY AND M.R.N. MURTHY
Analysis of temperature factor distribution
in high-resolution protein structures
Protein Science (1997), 6:2561-2567.
J.D. DUNITZ and D.N.J. WHITE
Non-rigid-body thermal-motion analysis.
Acta Cryst. (1973). A29, 93
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