This looks to me like a good attempt for GraphEnt. Give it a shot and you might
be positively surprised.
Jürgen
Sent from my iPad
On May 13, 2013, at 21:26, Dale Tronrud det...@uoxray.uoregon.edu wrote:
Sometimes a floppy bit of a protein is even more floppy in a
particular crystal form.
Dear all,
I have solved the structure of my protein by molecular replacement at 2.9A,
with Rfactor and Rfree 18 and 22 respectively. Overall everything seems
fine, its a two domain protein NTD and CTD, the NTD have high average B
factor compared to CTD. A helix of NTD seems to be disordered, I
Hard to say without seeing the maps and experimenting. My first check would
be to set the NTD occupancies to 0.0 - refine the CTD alone, then look at
the maps in COOT.
Or maybe let an automatic modelling building program such as Buccaneer try
to rebuild the NTD section, with starting phases from
Sometimes a floppy bit of a protein is even more floppy in a
particular crystal form. Your maps do not appear to support your
model of a helix in this location. I would not build it unless
maps based on later refinement show something reasonable in the
omit map. (Of course if you leave out
