You wrote:
-------- Original Message -------- Subject: P21/n spacegroup Date: Tue, 27 Sep 2011 14:38:28 +0100 From: Franck <franck.co...@cnrs-orleans.fr> Dear all, i'm struggling trying to integrate x-ray data in spacegroup P 1 21/n 1 (racemic mixture of peptides) with XDS or Imosflm. Can someone tell me the best way to do it ? Thanks in advance. Sincerely, Franck.
Franck,"struggling" is rather unspecific. Is there an error message from XDS, or anything else that tells you that something's wrong?
The lists in IDXREF.LP and CORRECT.LP that start with "POSSIBLE SPACE-GROUPS FOR PROTEIN CRYSTALS" do not list _all_ spacegroups, just the "protein ones". But XDS handles all 230 spacegroups.
Just run INIT COLSPOT IDXREF in spacegroup 0 (which means "unknown") and inspect the tables. Then input the correct spacegroup number and the mP cell parameters as found. Run IDXREF DEFPIX INTEGRATE CORRECT.
HTH, Kay -- Kay Diederichs http://strucbio.biologie.uni-konstanz.de email: kay.diederi...@uni-konstanz.de Tel +49 7531 88 4049 Fax 3183 Fachbereich Biologie, Universität Konstanz, Box M647, D-78457 Konstanz This e-mail is digitally signed. If your e-mail client does not have the necessary capabilities, just ignore the attached signature "smime.p7s".
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