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B-factors for Mg2+, F− and H2O (W) in the Active Site of Complex (hNSE•Mg2•F2•Pi)2 Obtained in Refinements with F− or W (H2O) in Positions 444 and 445. Isotropic approximation and CNS software were used for these tests.
| Subunit A | Subunit B | Subunit A | Subunit B | |
|---|---|---|---|---|
| Mg (440) | 9.54 | 8.43 | 9.92 | 8.41 |
| Mg (441) | 9.28 | 7.84 | 9.99 | 7.63 |
| (444) | F 9.50 | F 8.36 | W 7.15 | W 6.78 |
| (445) | F 14.50 | F 14.04 | W 12.85 | W 12.37 |
| H2O (446) | 11.04 | 9.60 | 10.88 | 9.59 |
| H2O (447) | 10.66 | 9.74 | 10.52 | 8.86 |
| H2O (448) | 10.05 | 8.12 | 10.01 | 8.12 |
