Table 1.
Crystallography data collection and refinement statistics
| Parameters | Arr (PDB ID 6CZ7) | Arr with arsenate (PDB ID 6CZ8) | Arr with arsenite (PDB ID 6CZ9) | Arr with phosphate (PDB ID 6CZA) |
| Cryoprotection | ||||
| Buffer | Hepes, pH 7.5 | MES, pH 6.0 | Hepes, pH 7.5 | MES, pH 6.0 |
| Data collection | ||||
| Space group | C2 | C2 | C2 | C2 |
| Unit cell | ||||
| a, b, c, Å | 231.26, 85.64, 146.68 | 233.162, 86.344, 148.221 | 232.512, 86.306, 147.367 | 232.397, 86.366, 147.429 |
| α, β, γ, ° | 90, 127.84, 90 | 90, 127.675, 90 | 90, 127.72, 90 | 90, 127.608, 90 |
| Resolution range, Å | 46.91–1.62 (1.678–1.62) | 39.1–1.78 (1.844–1.78) | 39.37–1.80 (1.864–1.80) | 37.70–1.71 (1.771–1.71) |
| Unique reflections | 286,352 (28,526) | 222,359 (22,113) | 209,823 (20,962) | 245,023 (23,784) |
| Rpim, % | 3.1 (32.0) | 3.4 (30.3) | 3.2 (31.3) | 3.3 (31.1) |
| <I/σ(I)> | 17.77 (2.40) | 15.94 (2.35) | 17.49 (2.27) | 15.71 (2.17) |
| Completeness, % | 99.93 (99.99) | 99.85 (99.84) | 98.35 (98.89) | 98.33 (95.72) |
| Multiplicity | 6.8 (6.6) | 6.8 (7.0) | 6.9 (7.0) | 6.9 (6.6) |
| Wilson B factor, Å2 | 18.10 | 23.40 | 23.77 | 20.40 |
| Refinement | ||||
| Rwork/Rfree | 0.1374/0.1547 | 0.1372/0.1681 | 0.1422/0.1694 | 0.1317/0.1535 |
| No. of non-H atoms | ||||
| Protein | 16,452 | 16,429 | 16,320 | 16,448 |
| Water | 2,435 | 2,241 | 2,288 | 2,378 |
| RMSD | ||||
| Bond lengths, Å | 0.007 | 0.010 | 0.006 | 0.009 |
| Bond angles, ° | 1.27 | 1.23 | 1.16 | 1.29 |
| Average B factors, Å2 | ||||
| Protein | 25.85 | 30.22 | 31.21 | 26.76 |
| Ligands | 23.04 | 27.30 | 28.64 | 23.78 |
| Water | 35.34 | 38.37 | 39.37 | 36.77 |
| Ramachandran, % | ||||
| Favored | 96.88 | 96.73 | 96.78 | 96.92 |
| Allowed | 2.88 | 2.98 | 2.98 | 2.79 |
| Outliers | 0.24 | 0.29 | 0.24 | 0.29 |
Values in parentheses are for the highest-resolution shell.