The Bsol parameter will be influenced by model completeness (the B- factor of the solvent will tend to account for missing scattering in the atomic model). Given that your R-values are somewhat higher than usual it is possible that you need to complete the model further (adding ordered waters that have B-factors higher than 25 for example). On Jan 19, 2010, at 6:13 PM, J. Fleming wrote:
Hi,
I'm working on a structure but am having problems with K(sol) and B(sol). What are they and how do I get them into range? I thought they might have something to do with my waters but I have no water B- factors <25. Thanks for any help!
-Jon
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