-----BEGIN PGP SIGNED MESSAGE----- Hash: SHA1 Dear Jiyuan Ke,
the SSBOND (http://www.ccp4.ac.uk/html/refmac5/files/coordinates.html#pdb_ssbond) does allow symmetry related molecules, so it seems that is the header entry you are looking for. Tim On 10/27/2011 03:56 PM, Ke, Jiyuan wrote: > 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. > - -- - -- Dr Tim Gruene Institut fuer anorganische Chemie Tammannstr. 4 D-37077 Goettingen GPG Key ID = A46BEE1A -----BEGIN PGP SIGNATURE----- Version: GnuPG v1.4.10 (GNU/Linux) Comment: Using GnuPG with Mozilla - http://enigmail.mozdev.org/ iD8DBQFOqWS8UxlJ7aRr7hoRApjWAKDXJMiZO2TvGpp3xK9vxAO0iFZYAwCfYnYp YiHr2Ix5wup4WTCY/k/YlNU= =aVDP -----END PGP SIGNATURE-----
