[phenixbb] High B factors

Tim Gruene tim.gruene at univie.ac.at
Fri Jul 12 09:04:06 PDT 2019

Dear Sozanne,

B-factors mimic a weighting factor. When they are high, high resolution 
reflections are weighted down. You may either not worry about the B-factors (I 
don't look at them because refinement program know what they are doing) or 
cut-back your resolution to I/sigma(I)=2. The latter will sooth old-fashioned 
reviewers, the formar will be modern crystallography.


On Friday, July 12, 2019 5:09:27 PM CEST ssolmaz wrote:
> Dear Kay,
> Thank you, this is helpful. Yes, the data were collected at the synchrotron
> with a Dectris Pilatus 6MF detector. CC1/2 at the highest resolution shell
>  (2.55A - 2.5A) is 0.481 and I/sigma(I) is 1.2. The multiplicity is 9.7.
> Best, Sozanne.
> Sozanne Solmaz, Ph. D.
> Assistant Professor of Biological Chemistry
> Department of Chemistry, State University of New York at Binghamton
> PO Box 6000, Binghamton, NY 13902
> Office: Smart Energy Building Room SN1045
> 25 Murray Hill Road, Vestal, NY, 13850
> http://chemiris.chem.binghamton.edu/SOLMAZ/solmaz.html

Tim Gruene
Head of the Centre for X-ray Structure Analysis
Faculty of Chemistry
University of Vienna

Phone: +43-1-4277-70202

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