Hi MIke Beyond the obvious that they should sum to no more than unity, if they are similar to or not hugely greater than other temperature factors in your structure, they are probably okay.
People often apply restraints or constraints to keep the temperature factors similar for equivalent atoms in different partially occupied conformations, but I’m not sure there is a real justification for this apart from making the solution refine more stably. No doubt someone here will correct me! Harry > On 28 Nov 2022, at 19:31, Michael Colaneri <colane...@oldwestbury.edu> wrote: > > Dear colleagues, > If I have alternate ligands overlapping in the same electron density or > alternate conformations of the protein chain overlapping in the same electron > density, how accurate are the occupancy factors? (Res 2A - temp factors are > fine) > Thanks, Mike Colaneri > > 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/
