Judith Reeks wrote:
Dear All,
I am currently refining a structure using the latest experimental
version of Refmac (5.6) and there seems to be a problem with my Fo-Fc
map. There is a region where I have fitted residues to the electron
density but after refinement there is still positive electron density
assigned to the region despite the fact that residues fit the electron
density (see link below for a screenshot). Multiple rounds of
refinement have yet to get rid of this problem. I have checked the PDB
file and there does not appear to be any problems with this region.
Has anybody seen something like this before?
http://i1083.photobucket.com/albums/j382/jreeks/Screenshot2011-03-01at1613402.png
Regards,
Judith Reeks
ja...@st-andrews.ac.uk
School of Chemistry
University of St Andrews
Yes, I have encountered such a situation before, where the occupancy was
not set to 1.0. For some reason the occupancy had been set well below
one. This is the first thing I would check. I can't remember right now
why this had happened.
Fred.
