Hi Yuri, just add them to your model using phenix.ready_set and run refinement as usual. I would expect (*) the R-factors drop by 1.5-2% or so. Your crystals could probably diffract to a higher resolution limit, given how well the map looks like for H atoms and at this resolution. (*) based on: "On contribution of hydrogen atoms to X-ray scattering" http://phenix-online.org/newsletter/ Pavel On 3/1/12 2:52 PM, Yuri wrote:
Dear users, 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). Thanks for your time