Re: [ccp4bb] Heavy atom searching with disulfides

2009-08-10 Thread George M. Sheldrick
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 un

[ccp4bb] Heavy atom searching with disulfides

2009-08-10 Thread Francis E Reyes
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 - Fra