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Figure 4
Electron density maps contoured at 1σ from crystal structures (a) MX1, (b) MX2 and (c) MX3. The copper atom is shown as an orange sphere. Note that a water molecule is coordinated to the T2Cu centre in all cases, along with three histidine ligands. The four-coordinate geometry and clear density for the Cu-coordinated water molecule (shown as a red sphere) clearly indicate that this centre is in the oxidized Cu(II) form, consistent with the XAS data.

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