[phenixbb] pseudo-merohedral twinning or pseudo-symmetry?

[Peter Zwart]

Hi,

I suggest trying various P2 options, or solve it in P1 and subsequently use
the RvsR statistics to sort out the symmetry.

HTH

Peter


2009/10/17 Laurie Betts <laurie.betts0508 at gmail.com>

> Thanks - this is what I was guessing about the beta angle, but forgot
> to mention.
>
> On Fri, Oct 16, 2009 at 7:19 PM, Gino Cingolani
> <Gino.Cingolani at jefferson.edu> wrote:
> > Laurie,
> >
> > I had a similar problem. Scaling statistics in P212121 were OK,
> > and - of course - no twinning was detected ... but nothing made sense
> during refinement. Looking at the data more carefully
> > I found that if one rescales in P21, the b-angle was stably
> > refined to 90.20 with ~30% better Rsym than in orthorhombic.
> > When running xtriage on the P21 data, I found the data were indeed
> "pseudomerohedrally-twinned" with twinning fraction ~0.38.
> >
> >
> > Good luck!
> >
> > Gino
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> >
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P.H. Zwart
Beamline Scientist
Berkeley Center for Structural Biology
Lawrence Berkeley National Laboratories
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