On Jan 14, 2010, at 3:51 AM, [email protected] wrote:
i am solving one of my structure with resolution 3.0 . i used phenix auto build for building . R factor and Rfree is now 20.4 24.9 but 69 residue out of 800 residue are outlier in ramchandran plot . further refinment increses the r factor how should i can step further
In addition to what Pavel said: 20.4/24.9 is excellent for 3.0A resolution (try phenix.polygon to see for yourself) - and perhaps unrealistic, since you have so many Ramachandran outliers. If you fix the outliers (and any other geometry problems) and R-free increases again after refinement, you may still want to accept those results, if the final values of R/R-free are otherwise reasonable. -Nat ------------------- Nathaniel Echols Lawrence Berkeley Lab 510-486-5136 [email protected]