Faisal,
It is a rather high value for LLDF. You should also look at COOT
Validate -> Density fit analysis for the ligand. Is it also RED in COOT?
Does it also have a B-value greater than 100?
If both are true you should go back to analysis your crystallization and
cryoprotection
approach:
If your ligand is poorly soluble try a cryosolution with solubilizing
power and mM ligand
in your cryo before collecting your data. It might solve your problem. See:
Ciccone L., Vera L., Tepshi L., Rosalia L., Rossello A. & Stura E.A.
(2015) Multicomponent mixtures for cryoprotection and ligand
solubilization.
Biotechnology Reports 7:120–127.
Enrico.
On Wed, 02 Dec 2015 17:24:43 +0100, khaja faisal tarique
<[log in to unmask]> wrote:
> Dear all
>
> What should be the ideal LLDF value for the ligands ? The validation
> report
> shows a value of 18.24 for one of my ligands and is marked in yellow.
> What
> does it indicates ? Is it a matter to worry or it is in acceptable range
> ?
> Initially the density was not very clear but upon putting the ligand and
> doing few rounds of refinement it appeared with more than 95% of the
> molecule built perfectly, however at few places it appears as partially
> occupied.
>
> Kindly explain some body
>
> Regards
>
> Faisal
--
Enrico A. Stura D.Phil. (Oxon) , Tel: 33 (0)1 69 08 4302 Office
Room 19, Bat.152, Tel: 33 (0)1 69 08 9449 Lab
LTMB, SIMOPRO, IBiTec-S, CE Saclay, 91191 Gif-sur-Yvette, FRANCE
e-mail: [log in to unmask] Fax: 33 (0)1 69 08 90 71
Proxima-2A, Soleil Synchrotron. Tel: 33 (0)1 69 35 8180 Beamline
http://scholar.google.com/citations?hl=en&user=Kvm06WIoPAsC&pagesize=100&sortby=pubdate
|