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. Thanks! Pavel. 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"
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