We have been solving a protein complex at 3.1 A by molecular replacement. One
copy of two chains in the asymmetric unit.
The two chains have fairly different average B factors. As would be expected isotropic B factors in refmac overfits the
data and leaves a large gap between R and Rfree. TLS
Nick,
there was a discussion of this three weeks ago. Check this thread
http://www.mail-archive.com/ccp4bb@jiscmail.ac.uk/msg14133.html
I still maintain the view that appropriately tight restraints are the
way to go and not the grouped B-factor refinement (at least not the way
it is currently
