If you did use aniso B and are stuck at 19.8% for a 'true' 1.45 A data set, I suspect that something might be off ....

did you check possibilities for twinning?

did you optimize weights properly?

P






2010/8/3 Geoffrey Feld <gkfeld@berkeley.edu>
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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