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. Author manuscript; available in PMC: 2011 Oct 1.
Published in final edited form as: Curr Opin Struct Biol. 2010 Aug 31;20(5):587–597. doi: 10.1016/j.sbi.2010.08.001

Figure 3.

Figure 3

Crystal structure of β-glucosidase (PDB code 3FJ0) [76]. (A) Overall structure shown in ribbon representation, with a reaction intermediate shown in stick representation. (B) The structure has an unusually large number of Na+ ions (purple spheres). Water molecules are marked as red spheres. The inset shows the binding site of the reaction intermediate in greater detail. The automatic procedures described in [37,38] do improve the R factors, but do not correct the misidentification of waters as sodium ions: after automatic rerefinement, the resulting structure contains the same erroneous number of Na+ atoms (252).