Dear Nika,
XDS probably did what you asked it to do ;-)
This is, however, not a problem. You only need to refine for a couple
of rounds longer to gain independence of your Rfree set. No need to
reassign them. Depending on the refinement program, it may take many
rounds. With Refmac (or shelxl),
Hello,
Two days ago I was asking about R free rising. The problem was xds adds R free
flags already and then re-introduced them in Phenix, causing R free to rise.
I would like to thank you for your answers, they were most helpful.
Best,
Nika
From: Nika Žibrat
Sent: ponedeljek, 02. november
Pharmakologie (FMP)
Robert-Rössle-Strasse 10
13125 Berlin
Germany
Phone: +49 (0)30 94793-284
From: CCP4 bulletin board on behalf of Wim Burmeister
Sent: Monday, November 2, 2020 5:04:34 PM
To: CCP4BB@JISCMAIL.AC.UK
Subject: Re: [ccp4bb] R free rising
...or your
undi 2 Novembre 2020 12:08:17
Objet: Re: [ccp4bb] R free rising
Yes, as Dale says when the FreeR goes up after minor rebuilding you have
usually somehow picked up a different FreeR set..
This is almost certainly what causes this to happen - you say
This results in R free slightly lower th
Yes, as Dale says when the FreeR goes up after minor rebuilding you have
usually somehow picked up a different FreeR set..
This is almost certainly what causes this to happen - you say
*This results in R free slightly lower than R work.*
Small changes in a well refined structure dont change r
On 11/2/2020 2:26 AM, Nika Žibrat wrote:
>
> Hello,
>
>
>
> I am trying to solve an X-ray structure of a protein of which the
> structure is already known. My aim is to only seek for ligands (soaking)
> and interpret any conformational changes. Since I am using a model with
> 100% sequence
Are you sure you have identified the correct space group?
Cheers
Schara
Dr. Schara Safarian
Project Leader
Max Planck Institute of Biophysics
Department of Molecular Membrane Biology
Max-von-Laue-Straße 3
60438 Frankfurt am Main
Deutschland/Germany
Visiting Assistant Professor
Hello,
I am trying to solve an X-ray structure of a protein of which the structure is
already known. My aim is to only seek for ligands (soaking) and interpret any
conformational changes. Since I am using a model with 100% sequence identity
from PDB I am not doing Autobuild after Molecular
