[phenixbb] Hi Res Model. Maybe its time to Include Hydrogens?
nechols at lbl.gov
Thu Mar 1 14:59:04 PST 2012
On Thu, Mar 1, 2012 at 2:53 PM, Yuri <yuri.pompeu at ufl.edu> wrote:
> I am refining a 400 aa protein with data out to 1.16 A (real data). I
> am almost finished with refinement. I have good geometry, complete
> model and ligands Rw 0.11 Rf 0.13.
> Difference maps seem to be asking for more. See attached screen
> shot.Both maps 2Fo-Fc (non-filled) and Fo-Fc are contoured at 3 sigma.
> How should I handle this? I have used hydrogens all along (riding).
I have no idea if this will help, but there are some parameters in the
scope refinement.hydrogens (in GUI: Settings
menu-->Advanced-->Hydrogens) that might make a difference. Among
other options, you could try refining the hydrogens individually - but
note that you should still leave them isotropic.
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