Table 3. Data-collection and refinement statistics.
Values in parentheses are for the outer shell.
| Data collection | |
| Beamline | BL-5A, PF |
| Wavelength (Å) | 1.000 |
| Temperature (K) | 95 |
| Space group | P21 |
| a, b, c (Å) | 57.6, 59.5, 73.6 |
| α. β. γ (°) | 90, 91.3, 90 |
| No. of molecules in asymmetric unit | 1 |
| Resolution range (Å) | 50–1.81 (1.85–1.81) |
| No. of unique reflections | 44594 (2201) |
| Multiplicity | 3.1 (2.0) |
| Completeness (%) | 97.8 (82.5) |
| 〈I/σ(I)〉 | 16.3 (2.2) |
| R merge † | 0.036 (0.237) |
| CC1/2 | 0.999 (0.914) |
| Refinement | |
| Resolution range (Å) | 46.3–1.81 (1.86–1.81) |
| Completeness (%) | 97.8 (83.2) |
| No. of reflections | 42403 (2686) |
| R work/R free | 0.191/0.203 (0.243/0.239) |
| No. of non-H atoms | |
| Protein | 3312 |
| Water | 226 |
| R.m.s. deviations | |
| Bond lengths (Å) | 0.004 |
| Angles (Å) | 1.354 |
| Average B factors (Å2) | |
| Protein | 25.2 |
| Water | 26.4 |
| Ramachandran plot‡ (%) | |
| Favoured | 98.0 |
| Allowed | 2.0 |
| Disallowed | 0.0 |
