In article <4qnec5$au0 at dart.cc.purdue.edu>, barani at dart.cc.purdue.edu
(Raman) wrote:
?> Can the B-factors ever be over-refined? In other words, theoretically
?>
?> is it possible for the R-free to increase during B-factor refinement
?>
?> in X-PLOR ? Erroneous B-values could increase R-free, but the
?>
?> question is, would the R-free increase if 'nstep' is increased to
?>
?> say, 100?
?>
?>
?> chumma at purdue.edu
it's even practically possible (and often done) ;-)
just try refining (atomic) anisotropic Bs at 4.0 Å resolution
--cd
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Gerard J. Kleywegt
Department of Molecular Biology, Biomedical Centre
Uppsala University, Uppsala, SWEDEN
