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

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 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 _______________________________________________ phenixbb mailing list [email protected] http://www.phenix-online.org/mailman/listinfo/phenixbb

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