[phenixbb] how to make covelent link of BME with Cys and refine

Rajeshwer Sankhala Rajeshwer.Sankhala at jefferson.edu
Tue Feb 12 14:21:01 PST 2013


I can see additional density just next to Cys residues in my protein structure and it looks like BME is covalently linked to cys. I could form a disulfide bond between BME and Cys in "Refmac 5 review restrain" but when i subject it for refinement BME is thrown away (no disulfide bond). I also given Cif file in refinement but it didnot help. I have a feel that i am missing something in cif file. Can anyone suggest step  by step starting from adding BME to making a link with BME (Cys-BME) and then refinement?

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