Dear Nick,

I would contact some MassSpec people and ask if they could find out the mass of 
your mystery ligand. I would also carefully look at the neighboring protein. It 
might be an alternate conformation of a partially disordered loop. Finally, I 
would check literature to see if a natural ligand/cofactor of your protein 
would fit. However, your ligand seems to be bound in a crystal contact so it 
may be an artifact.

Best,
Herman

Von: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] Im Auftrag von Nick 
Thomas
Gesendet: Mittwoch, 14. Juni 2017 18:40
An: CCP4BB@JISCMAIL.AC.UK
Betreff: [ccp4bb] Unknown Ligand Density

Dear CCP4bb,

I am refining a structure and have come across strong electron density for an 
unknown ligand (image attached). Would someone be able to identify this unknown 
ligand that somehow was co-purified with the protein.

The electron density shape does not match anything included in the 
crystallization conditions.

The crystallization condition is
0.1M MES monohydrate, pH 6.5, 1.6 M Magnesium sulphate heptahydrate

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