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Ligand-iron-ligand distances and angles for the KshA nonheme iron
| Defining atom | Value |
|---|---|
| Metal-ligand distances (Å) | |
| Fe-Nε2, His181 | 2.2 |
| Fe-Nε2, His186 | 2.1 |
| Fe-Oδ1, Asp304 | 2.2 |
| Fe-Oδ2, Asp304 | 2.5 |
| Fe-S1 | 2.1 |
| Metal-ligand angles (degrees) | |
| 181-Fe-186 | 102 |
| 181-Fe-Oδ1, Asp304 | 143 |
| 181-Fe-Oδ2, Asp304 | 92 |
| 186-Fe-Oδ1, Asp304 | 92 |
| 186-Fe-Oδ2, Asp304 | 87 |
| Oδ1, Asp304 –Fe-Oδ2, Asp304 | 54 |
| S1-Fe-181 | 101 |
| S1-Fe-186 | 123 |
| S1-Fe-Oδ1, Asp304 | 98 |
| S1-Fe-Oδ2, Asp304 | 141 |
