[phenixbb] maximum allowable B-factor value

Christian Roth christian.roth at bbz.uni-leipzig.de
Wed Oct 27 11:26:00 PDT 2010

Dear all, 

I did a refinement run with a built in ligand. Within the ligand the B-factor 
jumps between two connected atoms from 60 up ~110, which is i think a bit too 
much. Is there a way to restrain the B-factors that they could not jump so 
much. I would accept negative difference density for the atom. Maybe the ligand 
is a bit degraded. 

Best regards 


@Pavel Tanks for your suggestions with occupancy refinement and B-factors.
Christian Roth
Institut für Bioanalytische Chemie
Biotechnologisch-Biomedizinisches Zentrum
Fakultät für Chemie und Mineralogie
Universität Leipzig
Deutscher Platz 5
04103 Leipzig
Telefon: +49 (0)341 97 31316
Fax: +49 (0)341 97 31319

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