[ccp4bb] indexing choice for C2
Dear all, I believe I've run across a case similar to that described recently in Zwart et al., Acta Cryst. (2008) D64, 99-107: Given the pseudosymmetric nature of the lattice (pseudo- rhombohedral), C2 can be embedded in the higher symmetry lattice in three different ways (see Fig. 4), corresponding to the three orientations of the twofold axis in space group R32. The integration suite used to initially process the data only gave a single indexing choice for C2, which was unfortunately incorrect. I've been using denzo/scalepack to process my data, which, as far as I can tell, only allows me one indexing choice for C2. How can one do this integration using the other two indexing choices? --James
Re: [ccp4bb] indexing choice for C2
use MOSFLM, XDS or D*TREK Peter 2008/12/13, James Whittle whit...@mit.edu: Dear all, I believe I've run across a case similar to that described recently in Zwart et al., Acta Cryst. (2008) D64, 99-107: Given the pseudosymmetric nature of the lattice (pseudo-rhombohedral), C2 can be embedded in the higher symmetry lattice in three different ways (see Fig. 4), corresponding to the three orientations of the twofold axis in space group R32. The integration suite used to initially process the data only gave a single indexing choice for C2, which was unfortunately incorrect. I've been using denzo/scalepack to process my data, which, as far as I can tell, only allows me one indexing choice for C2. How can one do this integration using the other two indexing choices? --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 -
Re: [ccp4bb] indexing choice for C2
A safe approach is to integrate in P1 and let XPREP sort it out. 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 Sat, 13 Dec 2008, Peter Zwart wrote: use MOSFLM, XDS or D*TREK Peter 2008/12/13, James Whittle whit...@mit.edu: Dear all, I believe I've run across a case similar to that described recently in Zwart et al., Acta Cryst. (2008) D64, 99-107: Given the pseudosymmetric nature of the lattice (pseudo-rhombohedral), C2 can be embedded in the higher symmetry lattice in three different ways (see Fig. 4), corresponding to the three orientations of the twofold axis in space group R32. The integration suite used to initially process the data only gave a single indexing choice for C2, which was unfortunately incorrect. I've been using denzo/scalepack to process my data, which, as far as I can tell, only allows me one indexing choice for C2. How can one do this integration using the other two indexing choices? --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 -
