Calcium likes to form octahedral complexes with water (or other 
oxygen-containing) ligands. This looks like a classic example. 

After you model and refine this, you’ll want to check water-metal distances, to 
make sure they are appropriate for calcium. There is a nice literature on such 
things, which I of course don’t have at my fingertips; but I think Wladek Minor 
has done some data-mining in metal-containing protein structures, and Amy Katz 
and Jenny Glusker have a number of papers that are relevant. There are more, of 
course—a little time in the “library” is warranted.

Cheers,

Pat Loll

> On 6 Mar 2018, at 5:19 PM, Rajesh Kumar <rajesh.p...@gmail.com> wrote:
> 
> Dear All,
> 
> Have you had experience with this kind of density? I am wandering what this 
> could be?
> 
> Thank you very much for the help.
> 
> -Rajesh
> 
> 
> <Screen Shot 2018-03-06 at 5.15.20 PM.png>
> 

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Patrick J. Loll, Ph. D.  
Professor of Biochemistry & Molecular Biology
Drexel University College of Medicine
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