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

Pavel Afonine pafonine at lbl.gov
Tue Aug 3 23:33:59 PDT 2010

  Hi Geoffrey,

if you don't mind, could you send me the data and model (to may email 
address, not to the whole bb) - I'm getting puzzled about this high 
B-factors... I may not be able to look into it right now, but I would 
definitely like to have it in a collection of unanswered (yet) 
questions. Also, there is always a chance to notice something obvious 
that might shed some light into this puzzle.


On 8/3/10 10:20 PM, Geoffrey Feld wrote:
> 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 parameter?
> Thanks!
> -- 
> Geoffrey K. Feld
> Department of Chemistry
> 492 Stanley Hall
> University of California, Berkeley
> "Vigilia pretium libertatis"
> _______________________________________________
> phenixbb mailing list
> phenixbb at phenix-online.org
> http://phenix-online.org/mailman/listinfo/phenixbb

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