Dear All,

I have a question regarding refinement of a crystal structure with intermolecular disulfide bond. There is one monomer in an asymmetric unit. The biological assembly for the molecule is a disulfide bond linked dimer. And the disulfide bond is on a 2-fold crystallographic symmetry. During refinement using refmac, how do I tell the program to keep the disulfide bond? Currently two S atoms are pushing away from each other after refmac refinement. Thanks!

Jiyuan Ke, Ph.D.

Research Scientist

Van Andel Research Institute

333 Bostwick Ave NE

Grand Rapids, MI 49503

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