1 Mar
2012
1 Mar
'12
9:33 p.m.
Hi Yuri, try: hydrogens.refine=individual and let me know if that improves the maps. I found a bug such that if hydrogens.refine=riding then H atom scattering contribution is not included into map (but included everywhere else). I will fix this bug within a week or so. 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