Hi,
How good/bad is the geometry of your model (as judged by the usual criteria
either in procheck of molprobity) ?
Boaz
----- Original Message -----
From: john kryst <[EMAIL PROTECTED]>
Date: Tuesday, October 23, 2007 7:04
Subject: [ccp4bb] Twinning
To: [email protected]
> Hi ccp4bb !!
>
> I am refining a 3.1 A resolution
> structure which has partial twinning
> with twinning fraction 0.27 (space group P61).
> When i refined in CNS with twin_lsq target i got 0.1529 and
> 0.2384 as R and
> Rfree.
> There is almost 8-9% gap in R and Rfree. Map quality is good
> enough to trace
> all
> the atoms and ligands.
>
> There is nothing much to build in the map too. Any suggestions
> to reduce the
> gap in R and Rfree. I couldn't use shelxl because of the
> resolution. Is it
> OK to stop refinement and submit the structure.
>
> with warm regards
> John
>
Boaz Shaanan, Ph.D.
Dept. of Life Sciences
Ben-Gurion University of the Negev
Beer-Sheva 84105
Israel
Phone: 972-8-647-2220 ; Fax: 646-1710
Skype: boaz.shaanan‎
