Hi Vaheh,
might be that you inverted the "naming" chirality by accident.
Simply regularize in coot and then carefully replacing into density
should do.
If that doesnt do invert yourself by drawing one oxygen through the
sulfur center.
Best, Matthias
-----------------------------------------
Dr. Matthias Zebisch
Division of Structural Biology,
Wellcome Trust Centre for Human Genetics,
University of Oxford,
Roosevelt Drive,
Oxford OX3 7BN, UK
Phone (+44) 1865 287549;
Fax (+44) 1865 287547
Email matth...@strubi.ox.ac.uk
Website http://www.strubi.ox.ac.uk
-----------------------------------------
On 3/31/2014 8:01 PM, Oganesyan, Vaheh wrote:
Colleagues,
Sorry to bother for something really minor. The Refmac usually always
recognizes tetrahedral SO4 groups and there were no problems related to its
geometry. Two attached files demonstrate SO4 geometry before and after
refinement. Would you be able to point me to mistake I’m doing?
Thank you.
Regards,
Vaheh Oganesyan, PhD
Antibody discovery and protein engineering
MedImmune, LLC.
www.medimmune.com
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