Some time ago, I had a dataset which turned out to be P31 with a dimer
sitting on the three-fold axis. The only way I found to process it was
to run twinned refinement in CNS with (-h,-k,l) and twinning fraction of
0.5. R/Rfree are 20/24% at 2.4A resolution, so the model must be right
at least to some extent. Good news is that I can figure out the dimer,
the bad news is that ligand binding site is not quite interpretable (it
was missing a loop in MR model and I can't build it from the density I
get). So my question is: what is the right way (if any) to improve maps
in such a case?
Of course, it's quite possible that the aforementioned loop is simply
disordered in which case nothing can be done, I presume.
Thanks for your help.
--
Edwin Pozharski, PhD, Assistant Professor
University of Maryland, Baltimore
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When the Way is forgotten duty and justice appear;
Then knowledge and wisdom are born along with hypocrisy.
When harmonious relationships dissolve then respect and devotion arise;
When a nation falls to chaos then loyalty and patriotism are born.
------------------------------ / Lao Tse /
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