Table 1. Data collection and refinement statistics.
| Data Collection | |
|---|---|
| space group | P21212 |
| cell dimensions | |
| a, b, c (Å) | 111.1, 122.2, 76.6 |
| α, β, γ(°) | 90, 90, 90 |
| wavelength (Å) | 1.5418 |
| resolution (Å) | 30.0 - 1.95 (2.02-1.95)a |
| Rsym* | 0.142 (0.577) |
| σ | 11.0 (2.1) |
| completeness (%) | 99.5 (96.5) |
| redundancy | 5.4 (4.1) |
| Refinement | |
|---|---|
| resolution (Å) | 28.0 - 1.95 |
| no. of reflections | 76,161 |
| Rwork / Rfree | 0.187/0.245 |
| no. of dimers per asymmetric unit | 1 |
| no. of atoms | |
| protein | 8644 |
| ligands | 146 |
| solvent | 747 |
| B-factors (Å2) | |
| protein | 14.6 |
| ligands | 12.8 |
| solvent | 18.6 |
| r.m.s.d | |
| bond lengths (Å) | 0.008 |
| bond angles (°) | 1.096 |
a
Values in parentheses are for the highest-resolution shell.