I guess someone has answered this?
Q1 Before detwinning data you must process in the lower symmetry..
Comment.
It may not bre necessary or sensible to use detwin - the resukltant
estimates of I are pretty unreliable..
You can use twinned data usually to solve an MR problem, and the
refinement programs cope with twinning well enough now.
From REFFMAC the output MTZ file actually contains Fobs(detwinned) and
Fcalc for the untwinned structure.
(The Fobs(detwinned) is confusingly still LABELLED FP! - this will be
changed asap)
Eleanor
Laurie Betts wrote:
I have a P62 crystal that is probably p31 (or P32). When I run the
detwin program to actually output detwinned data,
do I input the mtz as processed (e.g. as output from dtrek or HKL2000)
in the wrong (higher symmetry) or
the correct space group - Thanks
Laurie Betts
University of Pittsburgh
X-ray Crystallography Facility Manager
Department of Structural Biology
3501 Fifth Avenue,
Pittsburgh, PA 15260
412-383-5839
[email protected]
