Saturday, 19 November 2011

NCS 2-fold perpendicular to crystal 2-fold

From: Yuri Pompeu
Date: 28 October 2011 20:37


Hello Everyone,
I have data sets that scaled fairly welll in C2 2 21, but intensity statistics suggested twinning.
I was able to solve the structure in P1 21 1 (Rwork0.19/Rfree0.24 at 2.3A) with OK looking maps.
I notice that I have 2-fold NCS that is paralell to the crystallographic A axis, perpendicular to my crystallographic 2-fold B axis.
Can anyone ellaborate on the effect of this on the data (indexing/scaling and refining)?

Best,



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