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how to choose same test set for related data sets



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Dear all,

I apologize in advance for asking a question that I'm sure has been
asked before, but I haven't been able to find that previous answer...

Anyway, our situation is that we have several data sets with different
ligands bound to the same protein, all in the same spacegroup and
essentially the same unit cell.  After solving one of these structures
by molecular replacement, we intend to use that model as the starting
model for the rest of the datasets, (and then of course look for the
ligand in each).  My understanding is that we should choose the same
reflections to be the test set for all datasets in order to maintain
true cross-validation in the later refinements.  

My question is:  how do we go about ensuring that the same reflections
are chosen for the test set in all cases?  We are processing the data
with Mosflm/Scala, and doing refinement with X-PLOR, so a strategy that
works either with mtz files or X-PLOR cv files would be fine.

                             Thanks in advance.
                             Susan

-- 
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Susan Heffron
Department of Physiology and Biophysics
University of California, Irvine
U.S.A.
e-mail:   sheffron@uci.edu
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