I have used phaser to successfully solve a structure in P2x2x2x that had pseudo-translational symmetry. It was unable to correctly choose the space group, but after running phaser in all 8 possible space groups and inspecting the best solutions in each the correct solution was clear. Furthermore, it was the only MR program that worked. Was I just lucky?
Sue > > On 9 Feb 2011, at 22:27, Phil Jeffrey wrote: > >> Is there a program that does ? I was under the impression that they were >> all equally good/bad at this, because any solution that agrees with the PTS >> has quite a high score and any solution that doesn't has a low score, >> irrespective of the correctness of the placement of the molecules. >> >> In one case that ritually defeats me with quite strong pseudo-centering, >> this seems to be true for heavy atom searches also. >> >> Phil Jeffrey >> Princeton >> >> On 2/9/11 5:08 PM, Jon Schuermann wrote: >>> I would NOT use Phaser for MR with PTS present. It doesn't handle it >>> correctly yet, since the likelihood targets don't account for PTS. >>> Others may be able to explain it better. > Dr. Sue A. Roberts Dept. of Chemistry and Biochemistry University of Arizona 1041 E. Lowell St., Tucson, AZ 85721 Phone: 520 621 8171 [email protected] http://www.biochem.arizona.edu/xray
