when reindexing p212121 with -h,l,k, you get P 21 21 21 (a+1/4,b-1/4,c-1/4)
so you should subtract 1/4 from x and add a quarter to y and z. some tools in the cctbx are available that make this go easy (reindexing and moving things back to a standard setting). Reruning phaser might be the least painful option you have. P 2009/4/17 James Stroud <xtald...@gmail.com>: > Update: > > The pounding I am beginning to feel in my head is reminiscent of a pounding > I felt while working in p43212 a while ago. I think this is an alternate > origin issue. Now I just need to figure out how to redefine the origin. > > James > > > On Apr 16, 2009, at 9:38 PM, James Stroud wrote: > >> Hello All, >> >> I have two crystals (that I'll call "data set 1" and "data set 2") that >> seem to be isomorphic, but y and z are transposed between the two data sets. >> Reindexing data set 2 with the operators >> >> h => -h >> k => l >> l => k >> >> makes the axes match data set 1, but running MR with the previous data set >> 2 solution on the newly reindexed data set 2 yields a solution rotated 180 >> about z with respect to the data set 1 solution. What is the operation to >> reindex such that real space is rotated 180 about z? These are in P212121. >> >> James > -- ----------------------------------------------------------------- P.H. Zwart Beamline Scientist Berkeley Center for Structural Biology Lawrence Berkeley National Laboratories 1 Cyclotron Road, Berkeley, CA-94703, USA Cell: 510 289 9246 BCSB: http://bcsb.als.lbl.gov PHENIX: http://www.phenix-online.org CCTBX: http://cctbx.sf.net -----------------------------------------------------------------
