[ccp4bb] Modelling protein/protein interfaces

2018-02-02 Thread CHARBONNIER Jean-Baptiste
Hello If you are dealing with oligomers conserved in evolution, InterEvDock can be a good choice since it implements a coevolution-based score (http://mobyle.rpbs.univ-paris-diderot.fr/cgi-bin/portal.py#forms::InterEvDock2). Their new version handle oligomers with sequence alignments

[ccp4bb] Problems with pseudo-symmetry

2018-02-02 Thread Renuka Kadirvelraj
Dear All, I am trying to refine a 1.9 A structure that indexed with excellent statistics (XDS) into a primitive monoclinic cell with cell lengths a=81.33, b=90.11, c=113.25 and beta angle =102.15. Data analysis (Xtriage) indicated strong pseudo-symmetry with an off-origin peak (53% of origin

Re: [ccp4bb] Problems with pseudo-symmetry

2018-02-02 Thread Randy Read
Dear Renu, If the intensity statistics (especially the L-test and Phaser's second moments tests after the tNCS correction) do not indicate twinning, then you probably would not be justified in assuming that the crystal is twinned, unless you find good evidence (e.g. from the symmetry of the MR

Re: [ccp4bb] Problems with pseudo-symmetry

2018-02-02 Thread Eleanor Dodson
Inevitably Rfactors are higher for data sets with strong pseudo translation . It forces a sub set of the reflections to be systematically weak and weak reflections always have higher R factors.. So if your maps look good I think you can be happy with your results. As Randy says quite often false