Model two conformations?
JPK
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Jacob Pearson Keller
Research Scientist / Looger Lab
HHMI Janelia Research Campus
19700 Helix Dr, Ashburn, VA 20147
Desk: (571)209-4000 x3159
Cell: (301)592-7004
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From: [email protected] [mailto:[email protected]]
On Behalf Of Aaron Oakley
Sent: Thursday, February 1, 2018 4:37 AM
To: [email protected]
Subject: [phenixbb] side-chain on special position.
Hello fellow Phenix-ers,
I have a structure I am trying to finish in Phenix.refine
The is one problem: a glutamate residue sitting on a crystallography 2-fold axis
with partial occupancy (picture attached). This residue and its symmetry mate appear to take turns sitting
at this position: filling the density leads to severe collision with its symmetry mate.
Building the side-chain with occupancy 0.5 doesn’t seem to help, as the residue is pushed
out of density during refinement.
Any work-arounds?
Thanks all,
Aaron