I would try molrep - it will detect the NC translation and use it..

Eleanor

On Mar 13 2012, vincent Chaptal wrote:

Dear ccp4,

I have a case of PTS and wonder what's the best strategy to handle my data.

I processed my data in C2 with a=161 b=109 c=225 beta=104. The data in 97% complete to 3,8A. xtriage detected a 40% peak in the patterson at fractional coordinates x=-0,001 y=0,055 z=0,5.

I want to try to phase using MR.
Should I:
- leave the data in C2 (fully complete) and specify the program to use PST.
- expand from C2 to P1 and run using PST.
- re-index in P1 (a=98 b=97 c=225, alpha=78 beta=78, gamma=68) with only ca. 80% completeness, and specify PST.

before shooting more crystals to increase compleness and going for HA phasing, i was wondering if i could do something with what i have.
thank you for your input.
vincent




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Professor Eleanor Dodson
YSNL, Dept of Chemistry
University of York
Heslington YO10 5YW
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