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Figure 1
Electron-density map of the copper active site from LsAA9A_Cu(II)_LD_9tcv (left) and LsAA9A_Cu(II)_Cell3_LD_9td1 (right). In LsAA9A_Cu(II)_LD_9tcv one equatorial water molecule is coordinated to the copper at a distance of 2.02 Å, while the axial water distance is 2.64 Å. Sulfate and an additional water, each with 0.5 occupancy, are within hydrogen-bonding distance of the equatorial water but are not shown here for simplicity (shown in Supplementary Fig. S1). In LsAA9A_Cu(II)_Cell3_LD_9td1, the equatorial Cl− ligand is positioned at a distance of 2.38 Å from the copper. 2Fo − Fc electron density is shown at a 1.0σ contour level as a gray mesh. The brown sphere is copper, red spheres are H2O and the green sphere is Cl−. |

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