[phenixbb] ADP high variance

[Daniel Frey]

Hello,
I have a good data set to 1.8 A and refined it with the actual version  
of phenix, including annealing and isotropic bfactors. Checking the B  
factor variance in coot revealed high differences in about 50%  of the  
residues. Most of them are at the surface, but still there are  
residues like phenylalanines and valines within the core where the  
bfactors jump from 25 to 50 from one carbon atom to the other.  
Changing wu and wxu_scale did not improve the results. A quick check  
with refmac improved the results, so i guess I am missing the right  
restraints for phenix. Which parameters should be changed to improve  
the bfactor variance in phenix?

Thanks for your help


Daniel

Daniel Frey
Department of Biochmistry
University of Zurich
Winterthurerstrass 190
8057 Zurich
Switzerland

freyd at bioc.unizh.ch
Tel: +41446355558

www.biochem.uzh.ch/gruetter
www.structuralbiology.uzh.ch