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Hi all-

I have a protein that crystallizes in I422, and diffracts well, between 1.3-1.7A.  Beautiful density, slightly higher final R-factors than you might expect at this resolution (low to mid 20s).  The density is all beautiful, except that I have this one little clash, between a few atoms from a tyrosine and its symmetry mate.  In this picture I have it modeled as an Alanine and you can see the two tyrosine rings interlocking; and there is clearly no alternate conformation.

[cid:image003.png@01CD5F7B.1C822600]

Since it is not near my site of interest, I have been pretty much ignoring it, going through refinement with it as an alanine, then changing it at the very end to a tyrosine and just minimizing B-s, no positional.  Now that I plan to publish a bunch of these, I should probably figure out what is really going on.  Any insights?

Thanks
Christine
Christine Lukacs
Roche
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