Table 3. Data-collection and refinement statistics.
Values in parentheses are for the outer shell.
| Data collection | |
| Diffraction source | BL17U, SSRF |
| Wavelength (Å) | 0.9791 |
| Temperature (K) | 100 |
| Detector | ADSC Q315r |
| Crystal-to-detector distance (mm) | 250 |
| Rotation range per image (°) | 1 |
| Total rotation range (°) | 180 |
| Exposure time per image (s) | 0.2 |
| Space group | P21 |
| a, b, c (Å) | 51.51, 65.47, 52.82 |
| α, β, γ (°) | 90.00, 92.69, 90.00 |
| Mosaicity (°) | 0.87–1.26 |
| Resolution range (Å) | 50.0–2.10 (2.17–2.10) |
| Total No. of reflections | 72609 |
| No. of unique reflections | 20471 |
| Completeness (%) | 99.1 (98.4) |
| Multiplicity | 3.5 (3.6) |
| 〈I/σ(I)〉 | 11.8 (4.0) |
| R r.i.m. † (%) | 4.6 (24.8) |
| Refinement | |
| Resolution range (Å) | 35.82–2.08 (2.13–2.08) |
| Completeness (%) | 97.28 (74.3) |
| No. of reflections, working set | 18495 (1000) |
| No. of reflections, test set | 1976 (104) |
| Final R cryst | 0.2438 (0.3025) |
| Final R free | 0.2840 (0.3349) |
| No. of non-H atoms | |
| Protein | 2558 |
| Water | 116 |
| Total | 2674 |
| R.m.s. deviations | |
| Bonds (Å) | 0.003 |
| Angles (°) | 0.582 |
| Average B factors (Å2) | |
| Protein | 52.69 |
| Water | 49.01 |
| Ramachandran plot | |
| Most favoured (%) | 94.03 |
| Allowed (%) | 5.97 |
| Disallowed (%) | 0 |
†
R
r.i.m. is defined as 
.