On Mon, 2012-04-23 at 23:39 +0800, Qixu Cai wrote:
> Dear all,
>
> I have solved a 3.5ang structure with R/Rfree = 0.23/0.32 (refmac5.6 result). But when I used sfcheck to validate the coordinates and structure factors, I got a high R factor > 0.38 !
>
> Could anybody tell me the reason? Is that possible to deposit the coordinate to PDB?
>
> Thank you very much!
There are differences between the two programs. For instance, sfcheck
uses Babinet solvent correction, while Refmac's default is to use mask
correction. Perhaps you used TLS, which sfcheck is not likely to use.
You do have a relatively large jump, but it's not entirely unexpected
given the resolution.
--
"I'd jump in myself, if I weren't so good at whistling."
Julian, King of Lemurs
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