von Harry Powell
Gesendet: Dienstag, 29. November 2022 13:01
An: CCP4BB@JISCMAIL.AC.UK
Betreff: Re: [ccp4bb] occupancy factors for alternate conformations and
alternate ligands
Hi MIke
Beyond the obvious that they should sum to no more than unity, if they are
similar to or not hugely greater
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
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
