Re: [ccp4bb] Refinement with native and anomalous data

>My advice is to simply cycle back-and-forth between the two data sets. Refine against your high-resolution data until that converges, then simply >switch to the other mtz file and use F+ F-, along with "anomalous wavelength" and probably "refine orefine no", unless you want to refine the >occupan

Re: [ccp4bb] Refinement with native and anomalous data

My advice is to simply cycle back-and-forth between the two data sets.  Refine against your high-resolution data until that converges, then simply switch to the other mtz file and use F+ F-, along with "anomalous wavelength" and probably "refine orefine no", unless you want to refine the occupa

Re: [ccp4bb] Refinement with native and anomalous data

Dear Piotrek You can find some info on the use of prior phase information in refinement with Refmac in Acta Crystallogr D Biol Crystallogr. 2011 Apr;67(Pt 4):355-67. doi: 10.1107/S0907444911001314. Epub 2011 Mar 18. REFMAC5 for the refi

Re: [ccp4bb] Refinement with native and anomalous data

Dear Eleanor, I have used the ACORN previously for structure solution but I will have to read more about its functionality in structure refinement. I have run two Refmac jobs using either native or anomalous data with otherwise default parameters resulting in R/Rfree of 0.2013/0.2458 and 0.1862/0.

Re: [ccp4bb] Refinement with native and anomalous data

I think any decision depends on the resolution of your two data sets. If they are very different I would choose the higher resolution one. If that is the Anom data then I would use the anom signal at least in the first cycles to improve the phases.. Eleanor On Thu, 3 Jan 2019 at 14:59, Piotr Wil

[ccp4bb] Refinement with native and anomalous data

Dear CCP4 experts, I'd like to ask your opinion about using anomalous signal in refinement of crystal structures in addition to using high resolution native data. I am working on a series of structures for which I have collected two data sets (from the same crystal): 1 - native with higher resolut