[phenixbb] side-chain on special position.

Aaron Oakley aarono at uow.edu.au
Thu Feb 1 01:36:58 PST 2018

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,


[cid:DB9C0452-766B-49A2-BE28-13271DCDAC22 at ad.uow.edu.au]
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