Re: aniso scaling

[Anastassis Perrakis <perrakis@embl-grenoble.fr>]

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Hi all -

I was just wondering a bit about this refinement case in general and since
nobody pointed it out yet, here I go to catch all the blame ...:

> I am refining a structure at 2.3 A resolution. I have a tetramer in the
> asymmetric unit. I am using STRICT NCS and group B's (2 per residue: main
> chain atoms and side chains atoms).

At 2.3 A resolution I think you have enough observations
to at least refine individual B factors and most likely to seriously
try and loosen (if not abandon) NCS and look for differences
between molecules ... Maybe doing these will simply cure
the ill-behaved group B's etc etc.

btw, any experience out there with Rfree behavior is such cases ?
Does the 'thin-resolutions-shells' Rfree really help ?

                A.