[phenixbb] ADP refinement of cysteinesulfonic acid
Pavel Afonine
pafonine at lbl.gov
Tue Jul 16 13:45:56 PDT 2013
Hi Phillip,
if you refine against X-ray data then at this resolution hydrogen atoms
are riding, and they B-factors are inherited from atoms they are bonded
to, and yes, they are isotropic.
I can't comment on the rest since you provided too little information.
At least I need to see PDB file and .eff file.
Pavel
On 7/16/13 1:38 PM, Phillip Steindel wrote:
> 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
> _______________________________________________
> phenixbb mailing list
> phenixbb at phenix-online.org
> http://phenix-online.org/mailman/listinfo/phenixbb
More information about the phenixbb
mailing list