Re: [ccp4bb] Twin refinement - selecting FreeR Q for Garib..

2009-02-23 Thread Eleanor Dodson
Is it true that when doing twinned refinement REFMAC does not use the assigned FreeR set? Eleanor Roberto Steiner wrote: Hi Sabine, If your question is: Is it possible to refine twinned structures with Refmac? My answer is: Yes. Very well. Best wishes, Roberto On 20 Feb 2009, at 16:32

Re: [ccp4bb] Twin refinement - selecting FreeR

2009-02-20 Thread Nathaniel Echols
> > I used phenix to assign the free reflections putting in the twin > operators. Doing simulated annealing in phenix, I get a rather large > difference in R/Rfree of ~7%. Well, I guess I need to do some tweaking of > the parameters in phenix (running the latest phenix and cci_apps). When I > tha

Re: [ccp4bb] Twin refinement - selecting FreeR

2009-02-20 Thread Roberto Steiner
Hi Sabine, If your question is: Is it possible to refine twinned structures with Refmac? My answer is: Yes. Very well. Best wishes, Roberto On 20 Feb 2009, at 16:32, Sabine Schneider wrote: Hi everyone, I got good data to 2.4A on a protein-ligand complex. I want to solve the structure

[ccp4bb] Twin refinement - selecting FreeR

2009-02-20 Thread Sabine Schneider
Hi everyone, I got good data to 2.4A on a protein-ligand complex. I want to solve the structure by MR using a model with 45% seq. ID and 55% similarity. Initially the data appeared to be P622 (pointless, selfrotation function etc). Unit cell: 145 145 65, MW protein is 28kDa I prepared the MR mo