Thank You very much everyone.
I took all your suggestions into consideration. I was able to solve the
problem
Thank You once again
Deepthi
On Tue, Aug 28, 2012 at 5:07 PM, Pavel Afonine wrote:
> Hi Deepthi,
>
> 1) refine anisotropic ADPs for Zn,
> 2) make sure charge is accounted for,
> 3) r
I wish I could give a sensible explanation, but this feature is very common
with heavy atoms.
Possible problems. The default wavelength for all atomic scattering functions
is Cu Ka - you can see the formula used and details in the file
$CLIBD/atomsf.lib.
The atomic scattering values are much t
Hi Deepthi,
1) refine anisotropic ADPs for Zn,
2) make sure charge is accounted for,
3) refine f' and f'' for Zn (that means you need to use anomalous data in
refinement).
If 1-3 do not help, add
4) refine occupancy of Zn,
5) make sure you visualize your map using correct levels.
This should so
Please correct me if I am wrong.
If I am understanding correctly, your refinement was against the data of
SAD which used a wavelength to collect anomalous dispersion.
Such kind of data have anomalous source atoms collected at a lower
"real" atomic struc
Hi Everybody
Thank You very much for your suggestions. I did play around with
Zinc occupancy by giving 0.5 to each of them. I got rid of the negative
electron density. But i think it still needs to be refined.
Thank You very much once again
Deepthi
Hi everybody,
I am working on a mutant protein structure which is 56 aminoacids long and
solved the structure using SAD( Single wavelength anomalous dispersion)
with zinc ions. We used SHELX software to locate the Zinc atoms and solved
phases. We got the structure as a monomer. The resolution of
