Re: [ccp4bb] Stuck with Refinement

2020-08-06 Thread Eleanor Dodson
Dear Silvia, I look at those stats in the log file and worry about your data processing. There are some wild outliers in the measurements Unit cell: (129.59, 129.59, 118.84, 90, 90, 120) Space group: P 61 2 2 >From the log file: outliers Miller Index : Intensity : Sigma : Bin Mean Intensity

Re: [ccp4bb] Stuck with Refinement

2020-08-06 Thread Paul Emsley
On 06/08/2020 16:39, Silvia Napolitano wrote: Dear CCP4BB community, Dear Silvia, I am working on a crystal structure and I am a bit stuck with the refinement. To build the model I use Coot and to refine I use Phenix. I may be able to offer some insight about the first part. First,

Re: [ccp4bb] Stuck with Refinement

2020-08-06 Thread Jon Cooper
Hello, I think you are at a mid-refinement stage (R-free mid-thirties and map clearly still needing a lot more fitting work to be done on it) so I would not worry too much about the geometry stats at this point! I should pick someone's brains locally on model-building and get the fit to the map

[ccp4bb] virtual ACA meeting - Ronglie Award presentation

2020-08-06 Thread James Holton
Hello all! For those who may have missed it, the ACA meeting this year has gone virtual: https://www.acameeting.com/ Much cheaper to register than ever before, and there are a few days left! Yesterday morning, I had the honor of receiving the ACA's Ronglie Award, and I am sharing my