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 The information transmitted is intended only for the person or entity to which it is addressed and may contain confidential and/or privileged material. Any review, retransmission, dissemination or other use of, or taking of any action in reliance upon, this information by persons or entities other than the intended recipient is prohibited. If you received this in error, please contact the sender and delete the material from any computer.
