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Figure 4
Stereoview of nickel-binding site. Nickel is essential for the formation of the crystals. The ion binds to His434 and interacts electrostatically with Glu11 from a symmetry-related molecule. The side chain of Glu442 from the same molecule is at a slightly longer distance. The lighter contour corresponds to the 2mFo − DFc map and the darker one to the mFo − DFc map at 1σ and 3σ levels, respectively, when the ion has been modelled as an O atom. Inserting a nickel ion gives a B factor of about 40 Å2 after refinement. These maps corresponds to data from NDOSHG. The IR data gives considerably weaker density, suggesting partial occupancy for the ion. |