[phenixbb] ADP refinement of cysteinesulfonic acid

Phillip Steindel pstein at brandeis.edu
Tue Jul 16 13:38:22 PDT 2013

Hi all-

I have a 1.5 Angstrom structure with two cysteines that appear to have oxidized to cysteinesulfonic acid (OCS).  I replaced the cysteines in coot, then ran refine with individual and anisotropic ADPs, but the ADPs don't appear to be refining for those residues.  The hydrogens are all at 24,and the non-hydrogens are all at 20. I'm running 1.8.2-1309.  Thanks,

Phillip Steindel
Theobald Lab
Brandeis University

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