Table 2. Data collection and processing.
Values in parentheses are for the outer resolution shell.
| Diffraction source | I911-3, MAX-lab |
| Wavelength (Å) | 0.97 |
| Temperature (K) | 100 |
| Detector | MAR CCD |
| Crystal-to-detector distance (mm) | 153.9 |
| Rotation range per image (°) | 0.20 |
| Total rotation range (°) | 130 |
| Space group | P21 |
| Unit-cell parameters (Å, °) | a = 82.91, b = 62.78, c = 94.03, α = 90, β = 113.50, γ = 90 |
| Mosaicity (°) | 0.56 |
| Resolution (Å) | 48.41–1.53 (1.55–1.53) |
| R meas (%) | 7.9 (7.9) |
| R p.i.m. (%) | 4.5 (5.0) |
| Total No. of reflections | 342658 (13264) |
| No. of unique reflections | 129149 (6237) |
| Completeness (%) | 96.3 (95.1) |
| 〈I/σ(I)〉 | 7.5 (1.2) |
| Multiplicity | 2.7 (2.1) |
| Wilson B factor (Å2) | 18.2 |
| CC1/2 | 0.995 (0.330) |