For an older paper with several examples, see: Acta Cryst. (1993). D49,
505-512 [ doi:10.1107/S0907444993003737 ], Orientation of non-crystallographic
symmetry axes in protein crystals, X. Wang and J. Janin
My favourite example is 1cel: pdbe.org/1cel and pdbe.org/download/1cel (see:
http://www.ebi.ac.uk/citexplore/citationDetails.do?externalId=8036495&dataSource=MED)
with two molecules in spacegroup P21212 with NCS operator:
MTRIX1 1 1.000000 0.000000 0.000000 -38.09200 1
MTRIX2 1 0.000000 1.000000 0.000000 -43.10800 1
MTRIX3 1 0.000000 0.000000 1.000000 -56.39300 1
The translation is 1/2, 1/2, "almost 1/2" and it complicated structure
determination at the time. Later, other structures were obtained in the
related higher symmetry spacegroup I222 without NCS.
--dvd
On Tue, 12 Oct 2010, Ting-Wei Jiang wrote:
Dear all
For a particular purpose, I have to use a file contains pseudo translation.
All my trials were got from PDB but there's still no trans vector was
detected using molrep-selfrotation.
Or some structures on PDB don't provide the structure factor file which is
for converting to MTZ file.(I also can't convert mmCIF to MTZ using cif2mtz)
It's annoying that asking a simple question but I've really stuck in reverse
for a week.
any suggestion would be appreciated. thanks a lot!
cheers
Tingwei
Best wishes,
--Gerard
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Gerard J. Kleywegt
Dept. of Cell & Molecular Biology University of Uppsala
Biomedical Centre Box 596
SE-751 24 Uppsala SWEDEN
http://xray.bmc.uu.se/gerard/ mailto:ger...@xray.bmc.uu.se
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