The paper Acta Cryst. D59 (2003) 2125-2132 discusses searching for disulfides. In general this works for data truncated for phasing to between 2.1 and 2.9 A. If the resoltuions is higher than 2.1, you can search for individual sulfurs, if it is worse than 2.9 even fitting them as disulfides is unreliable and they have to be treated as 'super-sulfurs'. The main advantage of incorporating disulfides in this resolution range is that the resulting experimental phases extend better to higher resolution.
George Prof. George M. Sheldrick FRS Dept. Structural Chemistry, University of Goettingen, Tammannstr. 4, D37077 Goettingen, Germany Tel. +49-551-39-3021 or -3068 Fax. +49-551-39-22582 On Mon, 10 Aug 2009, Francis E Reyes wrote: > Hi all > > Has there been any work/reports of using disulfide restraints (number of heavy > atoms as well as distance) for heavy atom searching/scoring for anomalous > sulfur phasing? > > What resolution range would this be most effective? > > Thanks > > FR > > > --------------------------------------------- > Francis Reyes M.Sc. > 215 UCB > University of Colorado at Boulder > > gpg --keyserver pgp.mit.edu --recv-keys 67BA8D5D > > 8AE2 F2F4 90F7 9640 28BC 686F 78FD 6669 67BA 8D5D >
