ginal Message-
From: Paul Emsley
Sent: Thursday, August 6, 2020 6:48 PM
To: Napolitano Silvia ;
CCP4BB@JISCMAIL.AC.UK
Subject: Re: [ccp4bb] Stuck with Refinement
On 06/08/2020 16:39, Silvia Napolitano wrote:
> Dear CCP4BB community,
Dear Silvia,
>
> I am working on a crystal struct
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
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,
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
