Hello, it might be to do with the TLS group refinement which is mentioned in your log file. Maybe try without TLS and see if it makes a difference, to the B-factors at least.
Best wishes, Jon Cooper. jon.b.coo...@protonmail.com Sent with [ProtonMail](https://protonmail.com) Secure Email. ‐‐‐‐‐‐‐ Original Message ‐‐‐‐‐‐‐ On Monday, 4 January 2021 14:58, Napolitano Silvia <silvia.napolit...@mol.biol.ethz.ch> wrote: > Dear Eleanor, > > Thank you for your answer. You are right, I totally forgot to provide this > information. > > The resolution is lower than 3 (2.19) Angstrom. > > Attached is the run log of the last refinement. I hope that now it will be > clearer! > > Best > > Silvia > > Silvia Napolitano > ETH Zurich > Institute of Molecular Biology and Biophysics > Otto-Stern-Weg 5, HPK E14 > CH–8093 Zurich > Phone: +41 44 6332482 > --------------------------------------------------------------- > > Da: Eleanor Dodson <eleanor.dod...@york.ac.uk> > Inviato: lunedì 4 gennaio 2021 15:43:03 > A: Napolitano Silvia > Cc: CCP4BB@JISCMAIL.AC.UK > Oggetto: Re: [ccp4bb] B-factors very high > > Well - you dont give the resolution of your data or the "wilson B" which will > be recorded in the data processing log. > If the resolution is 3A or less a) it is hard to refine a B value, and b) it > certainly should be high.. > > So more information is needed. > Eleanor > > On Mon, 4 Jan 2021 at 14:39, Silvia Napolitano > <silvia.napolit...@mol.biol.ethz.ch> wrote: > >> Dear CCP4 Community, >> I am currently working on the structure of a monomeric protein of 23KDa. The >> protein is generally quite "loopy" and I think I am mid-way refinement. >> At the moment I am struggling, among other things, with an extremely high >> B-factor and I'm not sure how to lower it. >> Do you have any suggestions on how I can proceed to obtain a lower average >> B-factor? (I am sorry if the question is rather naive, but I have worked >> very little on X-ray structures so far) >> I attached a screenshot of the polygon obtained from the last refinement >> (the geometry now should be a bit improved, I am running a new job at the >> moment). I will be happy to provide further files if needed. >> Many thanks in advance for your precious help! >> I wish you a nice start to the new year. >> Best >> Silvia >> >> ######################################################################## >> >> To unsubscribe from the CCP4BB list, click the following link: >> https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 >> >> This message was issued to members of www.jiscmail.ac.uk/CCP4BB, a mailing >> list hosted by www.jiscmail.ac.uk, terms & conditions are available at >> https://www.jiscmail.ac.uk/policyandsecurity/ > > --------------------------------------------------------------- > > To unsubscribe from the CCP4BB list, click the following link: > https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 This message was issued to members of www.jiscmail.ac.uk/CCP4BB, a mailing list hosted by www.jiscmail.ac.uk, terms & conditions are available at https://www.jiscmail.ac.uk/policyandsecurity/
