Debajyoti Dutta wrote:
Hi all,
I have a dataset giving contradictory results. When I am trying the
molecular replacement with Amore and Molrep autoMR it is automatically
taking trimer but upon running BALBES it is taking tetramer. The cell
content analysis is also supporting the trimer condition. It is a
P1211 space group.
I am confused with the results. But the tetramer is yielding a good
decrement of R free and R factor.
Thank you for your attention and suggestion in advance.
Yours sincerely
Debajyoti Dutta
Amity
Once you get a MR solution, it is always useful to look at the crystal
packing in the unit cell, or better yet several adjacent unit cells, and
look for gaping holes or unacceptable overlaps. The correct cell
contents are often more obvious after this type of examination.
Cheers,
--
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Roger S. Rowlett
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