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

[Peter Zwart]

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 at 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"
>
> _______________________________________________
> phenixbb mailing list
> phenixbb at phenix-online.org
> http://phenix-online.org/mailman/listinfo/phenixbb
>
>


-- 
-----------------------------------------------------------------
P.H. Zwart
Research Scientist
Berkeley Center for Structural Biology
Lawrence Berkeley National Laboratories
1 Cyclotron Road, Berkeley, CA-94703, USA
Cell: 510 289 9246
BCSB:      http://bcsb.als.lbl.gov
PHENIX:   http://www.phenix-online.org
SASTBX:  http://sastbx.als.lbl.gov
-----------------------------------------------------------------
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://phenix-online.org/pipermail/phenixbb/attachments/20100803/95e92144/attachment-0003.htm>