Could it be a formate ion (HCO2−)? _Gang

-----Original Message-----
From: CCP4 bulletin board [mailto:[email protected]] On Behalf Of Stephen 
Cusack
Sent: Monday, October 09, 2017 5:40 PM
To: [email protected]
Subject: [ccp4bb] help identifying unknown density

Dear All,

    I am refining the crystal structure of an E. coli expressed protein at 2.65 
A resolution. The crystals grew in

0.1 M MES pH6, 0.7 M sodium formate pH 6. Ni-NTA was used in the purification.

There are four molecules in the asymmetric unit. A particular histidine in each 
molecular has clear, strong extra density which looks like a metal bonded to an 
imidazole nitrogen (distance approx 2 A) with three other co-ordinating atoms 
in a triangular planar arrangement (see attached screen shot for unbiased extra 
density, atoms are only put in the density for illustrative purposes).

Has anyone seen anything like this ? Any suggestions ?

thanks very much

Stephen

-- 

**********************************************************************
Dr. Stephen Cusack, FRS
Head of Grenoble Outstation of the European Molecular Biology Laboratory (EMBL) 
Group leader in structural biology of protein-RNA complexes and viral proteins
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