Or download the latest refmac 6.6, and it will do NCS fully
automatically, and handle conformational flexibility too.
David Schuller wrote:
I think you should be able to specify two different "NCSR" lines, one to
cover chains A&A' and C&C', and another to cover chains B&B'.
On 06/23/10 18:51, Oganesyan, Vaheh wrote:
Dear bb contributors,
I would like to refer to your expertise and get advice regarding
multiple NCS relations between two macromolecular complexes in asu.
Resolution 2.5A, s.g. C2221, R-merge 6%, synchrotron data, 2 complexes
per a.s.u. Each complex consist of three polypeptide chains, let's say
A, B, C and A', B' and C'. A and A' have one NCS operator and B and B'
have another. C molecule follows A.
When I impose ncs in refinement my R-factors jump to ~30(35)% while
without they are around 21(27)%.
Does this mean that I can not use two different NCS operators or it
means I'm not applying ncs correctly?
I'm using refmac5 with TLS through GUI.
Thank you.
Vaheh
P.S. I don't remember if such question have ever been discussed on bb.
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