Table 4. Data collection and processing.
Values in parentheses are for the highest resolution shell.
| Diffraction source | BL17U, SSRF |
| Wavelength () | 0.97907 |
| Temperature (K) | 100 |
| Detector | ADSC Q315R |
| Crystal-to-detector distance (mm) | 250 |
| Rotation range per image () | 0.2 |
| Total rotation range () | 180 |
| Exposure time per image (s) | 1 |
| Space group | P21212 |
| Unit-cell parameters (, ) | a = 96.2, b = 135.8, c = 69.5, = = = 90 |
| Mosaicity () | 0.7 |
| Resolution range () | 48.571.90 (2.001.90) |
| Total No. of reflections | 354138 |
| No. of unique reflections | 71707 |
| Completeness (%) | 98.7 (100.0) |
| Multiplicity | 4.9 (5.0) |
| I/(I) | 5.8 (2.1) |
| R meas † (%) | 9.8 (46.4) |
| Overall B factor from Wilson plot (2) | 20.7 |
†
R meas is the redundancy-independent merging R factor. Here, R meas is estimated by multiplying the conventional R merge value by the factor [N/(N 1)]1/2, where N is the data multiplicity (Diederichs Karplus, 1997 ▸).