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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