While building our crystal structure model we encountered density which we weren't able to assign. The unknown molecule/molecules seems to coordinate a Ni^2+ -ion. This ion is also coordinated by a histidin and probably one H_2 O-molecule. The crystals have been grown from a protein-complex including the carotinoid peridinin, the lipid DGDG and Chlorophyll. Besides this the solution in which they have been grown contains Tris pH 8.5, NiCl_2 and PEG 2000 MME.

The linked images show a rotation around the density in 90°-steps (1.1A, 1.2sigma contour level). The above mentioned H_2 O-molecule has been removed. It is supposed to fill the density that is below the Ni^2+ -Ion in the first picture.
Images:  http://www.bioxtal.rub.de/myst.html.en

Any hints are welcome =)

Mario

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