Table 2.
Data collection, processing, and refinement statistics
Numbers in parentheses are for the high-resolution shell.
| H583C GoxA + Gly, pH 7.5 | H767A GoxA + Gly, pH 7.5 | Y766F GoxA + Gly, pH 7.5 | F316A GoxA + Gly, pH 5.5 | |
|---|---|---|---|---|
| Data collection | ||||
| Wavelength (Å) | 1.00000 | 1.00000 | 1.00000 | 1.00000 |
| Space group | P21 | P21 | P21 | P21 |
| Unit cell parameters | ||||
| a, b, c (Å) | 109.8, 93.3, 188.6 | 110.0, 93.1, 187.6 | 107.9, 93.0, 187.1 | 109.6, 91.9, 178.8 |
| α, β, γ (°) | 90.0, 95.1, 90.0 | 90.0, 95.1, 90.0 | 90.0, 95.1, 90.0 | 90.0, 91.4, 90.0 |
| Resolution range (Å) | 49.2–2.14 | 48.2–2.20 | 48.4–2.24 | 47.2–1.99 |
| No. of reflections (measured/unique) | 770,319/207,973 | 665,403/189,420 | 634,586/173,760 | 843,086/240,912 |
| Rmerge | 0.09 (0.61) | 0.11 (0.51) | 0.12 (0.64) | 0.10 (0.56) |
| I/σI | 9.2 (2.1) | 5.9 (2.1) | 5.9 (1.9) | 9.0 (2.2) |
| Completeness (%) | 99.4 (100.0) | 98.9 (99.6) | 98.0 (99.7) | 99.1 (98.5) |
| Redundancy | 3.7 (3.9) | 3.5 (3.3) | 3.7 (3.7) | 3.5 (3.1) |
| Refinement statistics | ||||
| Resolution (Å) | 2.14 | 2.20 | 2.24 | 1.99 |
| Rwork/Rfree | 0.157/0.211 | 0.187/0.239 | 0.202/0.250 | 0.172/0.223 |
| r.m.s.d. | ||||
| Bond lengths (Å) | 0.013 | 0.012 | 0.004 | 0.008 |
| Bond angles (°) | 1.174 | 1.080 | 0.719 | 0.941 |
| Ramachandran statistics | ||||
| Allowed | 99.4% | 99.5% | 99.5% | 99.5% |
| Outliers | 0.6% | 0.5% | 0.5% | 0.5% |
| Average B-factor (Å2) | 47.6 | 51.8 | 51.8 | 32.3 |