Table 3. Data collection and processing.
Values in parentheses are for the highest-resolution shell.
| Diffraction source | BL17U, SSRF |
| Wavelength (Å) | 0.9788 |
| Temperature (K) | 100 |
| Detector | Eiger 16M |
| Crystal-detector distance (mm) | 350 |
| Rotation range per image (°) | 1 |
| Total rotation range (°) | 200 |
| Exposure time per image (s) | 0.5 |
| Space group | C2 |
| Unit-cell parameters | |
| a, b, c (Å) | 124.21, 216.19, 98.45 |
| α, β, γ (°) | 90, 101.47, 90 |
| Mosaicity (°) | 0.8 |
| Resolution (Å) | 50.00–2.60 (2.69–2.60) |
| Total no. of reflections | 274204 |
| No. of unique reflections | 74467 |
| Completeness (%) | 95.9 (94.1) |
| Redundancy | 3.7 (3.4) |
| 〈I/σI〉 | 9.9 (1.5)† |
| R meas ‡ | 0.148 (1.142) |
| CC1/2 | 0.995 (0.662) |
| Overall B factor from Wilson plot (Å2) | 39.8 |
†
Mean I/σI falls below 2.0 in the 2.80–2.69 Å resolution shell.
‡
R
meas = 
, where I
i(hkl) and 〈I(hkl)〉 represent the diffraction-intensity values of the individual measurements and the corresponding mean values. The summation is over all unique measurements.