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.
>
>
>
>
> To the extent this electronic communication or any of its attachments contain information that is not in the public domain, such information is considered by MedImmune to be confidential and proprietary. This communication is expected to be read and/or used only by the individual(s) for whom it is intended. If you have received this electronic communication in error, please reply to the sender advising of the error in transmission and delete the original message and any accompanying documents from your system immediately, without copying, reviewing or otherwise using them for any purpose. Thank you for your cooperation.
>
--
=======================================================================
All Things Serve the Beam
=======================================================================
David J. Schuller
modern man in a post-modern world
MacCHESS, Cornell University
[log in to unmask]
|