Dear Experts,I have a metalloid complex in a structure I am solving, where a
single ion makes 3 covalent bonds to 3 different cysteine residues, at a bond
length of 1.8 A. How to generate the monomer library for refinement?
Leaving it without the bonds makes the SG atoms go farther than the required
bond length, building up positive density in the difference map at the right
locations.
Even if I create one monomer with the metalloid bound to cysteine, other 2
cysteines will have problems as the ion is shared by 3 residues.Any help is
appreciated.
regardsThiyaga
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Dr. S. Thiyagarajan
Faculty Scientist
Institute of Bioinformatics and Applied Biotechnology
Behind 3M and next to Arvind Mills
Electronics City Phase I
Bangalore 560100
Karnataka
Ph: +91-80-28528900 ext 124
Fax: +91-80-28528904
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