How sure are you that the orientation of the second molecule is correct?
If I understand your add correctly, you had one solution in the
rotation search and two in translation search. Does the patterson
confirm this finding? You could try EPMR, just for the fun.
However these Space groups can be tricky and/or twinned.
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We have a problem in refining a structure in space group R32.
The data processed to 2.9A with overall Rmerge of 5%, 98% completeness
and redundancy of 5. AMoRe gave clear solutions for the two expected
molecules in the asymmetric unit. The packing looked good, but the
structure could not be refined below 45% R-factor. Electron density for
one monomer is good while it is very poor for the other monomer.
The two molecules are identical (same rotation function values) in
orientation and are translated by almost 1/2 along the Z axis. I would
like to know if there is some way of going about refining this
I remember some discussion about refinement of structures with pseudo
translational symmetry in the ccp4 BB some time back.
Thanks in advance
-- Dr. Christopher Lehmann Center for Advanced fon: ++(301)-738-6126 Research in Biotechnology fax: ++(301)-738-6255 9600 Gudelsky Drive e-mail: email@example.com Rockville, MD 20850, USA web: http://www.geocities.com/dr_christopher_lehmann/