Re: [phenixbb] High B factors

Dear Sozanne, I expect these data were collected at a synchrotron, and they are quite weak at 2.5A? (would be good to know CC1/2 in the high-resolution shell) If so, what you see is normal, and there's most likely nothing wrong with your data or model. I've seen Wilson and average B-factors higher than the ones you cite, for perfectly correct models and well-measured data. It is just a fact that your protein's atoms vibrate in the lattice, and the B factors are a way to measure how much. There is a mathematical relation between B-factors and strength of diffraction at high resolution; the higher the former, the lower the latter. best, Kay On 7/11/19 6:49 PM, [email protected] wrote:

Date: Thu, 11 Jul 2019 11:50:52 -0400 From: ssolmaz To: [email protected] Subject: [phenixbb] High B factors Message-ID: Content-Type: text/plain; charset="utf-8"

Dear all, We recently determined a protein structure by molecular replacement and the statistics are looking good, however, the average B-factor is unusually high, and the Wilson B-factor is high too. A quick research on the subject suggested that high B-factors are acceptable as long as one has excluded and double-checked for other crystallographic problems. Which problems should I check for and what is your opinion on the high B-factor? Is there anything that could be done to lower it?

Resolution: 2.5 A Space group P3121, 60.0 60.0 142.6 90 90 120 R work 24.6% R free 26.4% Wilson B-factor 73.2 Average B-factor 99.5

Thank you for your advice, 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

-- Kay Diederichs http://strucbio.biologie.uni-konstanz.de email: [email protected] Tel +49 7531 88 4049 Fax 3183 Fachbereich Biologie, Universität Konstanz, Box M647, D-78457 Konstanz This e-mail is digitally signed. If your e-mail client does not have the necessary capabilities, just ignore the attached signature "smime.p7s".