Dear rohit,
you can use the program anode to calculate the anomalous difference map. Anode
it distributed with the latest CCP4 7.0, although I couldn't locate it in the
GUI, yet.
You can also run it from the command line. http://shelx.uni-ac.gwdg.de/SHELX/anode.php describes it. If you are not familiar with shelx
software, I would use hkl2map to only run shelxc. This creates a
somename_fa.hkl file. Then you copy your PDB file to the name somename.ent and
run anode from the command line
anode somename
The text output is self-explanatory, and it includes a somename.pha file which
you can read in with Coot. This displays your anomalous difference map.
Anode is very sensitive and should show the Iodine even when far off its peak
wavelength. I have used Anode to find K+ ions with data collected at 0.97A
where f'' is about 0.45e.
Cheers,
Tim
On Wednesday, January 20, 2016 06:00:15 PM rohit kumar wrote:
> Thanks for suggestion.
>
>
> Could you please just send me any reference so that i can calculate
> anamalous diffrence map, and which program should be use?
>
> .
>
> On Wed, Jan 20, 2016 at 4:56 PM, rohit kumar <[log in to unmask]> wrote:
> > Dear All,
> >
> > I have a 2.9 A resolution data. Right now the R and Rfree values are 30
> > and 35 respectively without adding water.
> > In my crystallization condition i have NaI (200mM).
> > How could i confirm whether iodine is present or not in my crystal??.
> >
> > In support, kinetic analysis suggest inhibitory effect of iodide ion on
> > enzyme activity.
> >
> >
> >
> > Thanks
> >
> >
> >
> > --
> > WITH REGARDS
> > Rohit Kumar Singh
> > Lab. no. 430,
> > P.I. Dr. S. Gourinath,
> > School of Life Sciences,
> > Jawaharlal Nehru University
> > New Delhi -110067
>
> --
> WITH REGARDS
> Rohit Kumar Singh
> Lab. no. 430,
> P.I. Dr. S. Gourinath,
> School of Life Sciences,
> Jawaharlal Nehru University
> New Delhi -110067
--
--
Paul Scherrer Institut
Dr. Tim Gruene
- persoenlich -
OFLC/102
CH-5232 Villigen PSI
phone: +41 (0)56 310 5297
GPG Key ID = A46BEE1A
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