Dear Colleagues,
I am refining a structure and there is a
SO4 on the 3-fold axis. What I did was to put atom S and O1 on
the 3-fold with occ=0.33, and O2 with occ=1, and no O3 and O4
in the pdb (O3 and O4 will be the symmetry of O2). But when I
refine it, Phenix complains close non-bounded distances for
both S and O1. Is there a way to refine this sulfate? Thanks!
Best
regards,
Tongqing
Tongqing
Zhou, Ph.D.
Staff
Scientist
Structural
Biology Section
Vaccine
Research Center, NIAID/NIH
Building
40, Room 4609B
40
Convent Drive, MSC3027
Bethesda,
MD 20892
(301)
594-8710 (Tel)
(301)
793-0794 (Cell)
(301)
480-2658 (Fax)
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