Re: [ccp4bb] low-res cutoff in refinement

2008-01-25 Thread Eleanor Dodson
As always, Dale hits the nail on the head. Your R factor is a function of your scaling algorithm as well as your model, and as you point out the apparent R factor increases when you include the low resolution data. This doesnt mean your model is worse - it is still the same model! All

[ccp4bb] low-res cutoff in refinement

2008-01-24 Thread Van Den Berg, Bert
Hi all, during refinement of our (membrane protein) structures, basically in all cases the R/Rfree values depend a lot on the low resolution cutoff. Putting the cutoff at lower res (20-50 A) results in substantially higher R/Rfree values (sometimes few percent). For this reason we mostly

Re: [ccp4bb] low-res cutoff in refinement

2008-01-24 Thread Pavel Afonine
Hi Bert, try phenix.refine: it uses very efficient and robust bulk solvent correction and anisotropic scaling protocol (Acta Cryst. (2005). D61, 850-855) as well as it automatically detects and removes reflections-outliers before the refinement starts. I think the combination of these things

Re: [ccp4bb] low-res cutoff in refinement

2008-01-24 Thread Axel Brunger
Are you using CNS 1.2? This version has a robust bulk solvent model and anisotropic correction that is much improved compared to CNS 1.1. It is similarly robust as that of Phenix (although different in detail). Axel Brunger Van Den Berg, Bert wrote: Hi all, during refinement of our

Re: [ccp4bb] low-res cutoff in refinement

2008-01-24 Thread Van Den Berg, Bert
: [ccp4bb] low-res cutoff in refinement Are you using CNS 1.2? This version has a robust bulk solvent model and anisotropic correction that is much improved compared to CNS 1.1. It is similarly robust as that of Phenix (although different in detail). Axel Brunger Van Den Berg, Bert wrote

Re: [ccp4bb] low-res cutoff in refinement

2008-01-24 Thread Axel Brunger
Subject: Re: [ccp4bb] low-res cutoff in refinement Are you using CNS 1.2? This version has a robust bulk solvent model and anisotropic correction that is much improved compared to CNS 1.1. It is similarly robust as that of Phenix (although different in detail). Axel Brunger Van Den Berg, Bert wrote