Re: [ccp4bb] increased Rfree after ligand fitting refinement

2021-01-20 Thread Eleanor Dodson
Well - there are several possible reasons for that . The least pleasing is that you have built the ligand in the wrong place, but leaving that aside. When you add something to your model the coordinates are rather approximate and the B factors are usually set to some quite arbitrary value, so it t

Re: [ccp4bb] increased Rfree after ligand fitting refinement

2021-01-20 Thread Pavel Afonine
Hi Wajahat, first off, there is a dedicated mailing list for Phenix specific questions ( http://phenix-online.org/). You need to run more than one refinement cycle before you try making sense of R factors. Pavel On Wed, Jan 20, 2021 at 10:05 AM Wajahat ali khan wrote: > Dear all, > > > I have

[ccp4bb] increased Rfree after ligand fitting refinement

2021-01-20 Thread Wajahat ali khan
Dear all, I have just started with X-ray diffraction. I would appreciate any ideas as to why after one cycle of phenix.refine , the Rfree value increased for my ligand fitted model molecular replacement solution model. Thanks Wajahat #

[ccp4bb] increased Rfree after ligand fitting refinement

2021-01-20 Thread WAJAHAT ALI KHAN
Dear all, I have just started with X-ray diffraction. I would appreciate any ideas as to why after one cycle of phenix.refine , the Rfree value increased for the ligand fitted model. Thanks Wajahat To unsubscribe from th