Table 3. Data collection and processing.
Values in parentheses are for the outer shell.
| Native | S-SAD | |
|---|---|---|
| Diffraction source | BL44XU, SPring-8 | BL-1A, PF |
| Wavelength (Å) | 0.90000 | 2.70000 |
| Temperature (K) | 100 | 100 |
| Detector | EIGER X 16M | EIGER X 4M |
| Crystal-to-detector distance (mm) | 200 | 61.5 |
| Rotation range per image (°) | 0.1 | 0.1 |
| Exposure time per image (s) | 0.1 | 0.01 |
| Resolution range (Å) | 38.30–1.90 (2.01–1.90) | 49.04–2.69 (2.76–2.69) |
| Space group | C2 | C2 |
| a, b, c (Å) | 85.75, 155.94, 129.53 | 85.44, 155.32, 129.22 |
| α, β, γ (°) | 90, 102.28, 90 | 90, 101.84, 90 |
| Total no. of reflections | 381316 (61723) | 3774689 (40196) |
| No. of unique reflections | 129679 (20765) | 88102 (5191) |
| Multiplicity | 2.9 (2.9) | 42.8 (7.7) |
| Completeness (%) | 98.9 (98.5) | 97.4 (78.3) |
| Mean I/σ(I) | 12.0 (1.4) | 24.4 (1.8) |
| R merge | 0.06 (0.91) | 0.15 (0.92) |
| R meas | 0.07 (1.11) | 0.15 (0.98) |
| CC1/2 (%) | 99.8 (55.0) | 99.9 (63.8) |