--Dear Everybody,
I'm refining a structure with 8800 independent reflections (81.4% completeness)
and resolution limit 2.32 A. In my model I now have all residues and 53
water molecules. The R-factor is 0.172 and R-free is 0.265 (at 2.32 A).
When I add waters both R and R-free decrease, but during refinement
(positional) only R decreases. When should I stop refinement? Right now or
when R-free doesn't decrease when adding waters?
Thanks,
Peter
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PETER SWAREN
Groupe de cristallographie biologique du LPTF
CEMES/CNRS Tel: +33 62 25 79 63
29 rue Jeanne Marvig Fax: +33 62 25 79 60
31055 TOULOUSE CEDEX E-mail: peter at ecstasy.cemes.fr
FRANCE
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