I have a similar situation so I am also curious for the answer. Refmac will always try to form a disulfide bond with both conformers for me as well.
On Mon, Mar 8, 2010 at 4:55 PM, Critton, David <david_crit...@brown.edu>wrote: > Dear CCP4BB, > > I am building a protein structure containing a pair of cysteines linked via > disulfide bond. This disulfide bond (i.e. the cysteine S-gamma atoms) > refines well at 2/3 occupancy, however the electron density suggests that > these cysteines each adopt a second, unlinked conformation (presumably at > 1/3 occupancy). I have no trouble building the alternate conformers; > however, refinement causes both conformers to disulfide-bond. > > I would like to know if there is a way (and how) to specify individual > conformers (or individual atoms) in the SSBOND record of a PDB. > > Thank you in advance, > David A. Critton > Graduate Student, Page Laboratory > Department of Molecular Biology, Cell Biology & Biochemistry > Brown University > Providence, RI > -- Jim Fairman, Ph D. Post-Doctoral Fellow National Institutes of Health - NIDDK Cell: 1-865-748-8672 Lab: 1-301-594-9229 E-mail: fairman....@gmail.com james.fair...@nih.gov
