Hi CCP4ers, Is there any differences in the way of calculating the Rfactor between PHENIX.refine and other programs implemented in CCP4i, like Refmac5 or sfcheck, or the EDS server?
I asking this because I have a structure solved at 1.4 Å resolution. Phenix,refine was used for its refinement and for the final model Rfactor was 14.5%. But during the validation with sfcheck (CCP4i), I got an Rfactor of 20.8%. The same happened when I used this final model as starting model for a refinement with Refmac5. Again I got an Rfactor of 20.8%. As far as I know, Phenix uses different algorithms for the refinement than other programs, which in some cases can make Phenix gets better Rfactors. Could these differences be the reason for this large difference in the calculated Rfactors? Or I have to recheck my procedure for mistakes? Thanks a lot in advanced. Looking forward to hearing form you. Cheers, Ariel
