Thank you so much
From: Eleanor Dodson
Date: Monday, May 6, 2024 at 3:30 PM
To: Liliana Margent
Cc: CCP4BB@jiscmail.ac.uk
Subject: [EXTERNAL]Re: [ccp4bb] Modeling Disulfide Bond Occupancies
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mailto:lmarg...@gradcenter.cuny.edu>>
Date: Monday, May 6, 2024 at 12:20 PM
To: CCP4BB@JISCMAIL.AC.UK<mailto:CCP4BB@JISCMAIL.AC.UK>
mailto:CCP4BB@JISCMAIL.AC.UK>>
Subject: [ccp4bb] Modeling Disulfide Bond Occupancies
Greetings everyone,
I'm currently in the pr
In the CCP4 program refmac5, you specify occupancy groups and then
specify how to refine them. The setup, afaik, is not automatic.
Documentation for how to do it is here:
http://www.ysbl.york.ac.uk/refmac/data/refmac_keywords.html#Occupancy
You may also find this link helpful?
https://www.mail
of Liliana
> Margent
> *Date: *Monday, May 6, 2024 at 12:20 PM
> *To: *CCP4BB@JISCMAIL.AC.UK
> *Subject: *[ccp4bb] Modeling Disulfide Bond Occupancies
>
> Greetings everyone,
>
> I'm currently in the process of modeling a disulfide bond in two
> structures. However, wh
board on behalf of Liliana Margent
Date: Monday, May 6, 2024 at 12:20 PM
To: CCP4BB@JISCMAIL.AC.UK
Subject: [ccp4bb] Modeling Disulfide Bond Occupancies
Greetings everyone,
I'm currently in the process of modeling a disulfide bond in two structures.
However, when I attempt to model s
Well - I turn off occupancy refinement once there is a sort of consensus..
Disulphides often break after long exposures and you see the positive and
negative blobs clearly. I must admit I usually just set 0.5 as occ , fix
the surviving disulphide link and let the B values suggest a better ratio
tha
Greetings everyone,
I'm currently in the process of modeling a disulfide bond in two structures.
However, when I attempt to model single occupancy for the cysteines involved in
the bond, negative density blobs emerge within the disulfide bond. This
suggests the possibility of alternate conforma
