Table 3. Data collection and processing.
Two data collections, with different crystal-to-detector distances and rotation ranges, were combined to form the final data set. Values in parentheses are for the outer resolution shell.
| Diffraction source | Beamline MX2, AS |
| Wavelength (Å) | 0.9537 |
| Temperature (K) | 100.0 |
| Detector | ADSC Q315r CCD |
| Crystal-to-detector distance (mm) | 400/300 |
| Rotation range per image (°) | 0.5/0.25 |
| Total rotation range (°) | 180 |
| Exposure time per image (s) | 1 |
| Space group | P21 |
| a, b, c (Å) | 204.56, 177.39, 244.55 |
| α, β, γ (°) | 90, 112.94, 90 |
| Mosaicity (°) | 0.3 |
| Resolution range (Å) | 75.470–2.150 (2.190–2.150) |
| Total No. of reflections | 5108329 (153406) |
| No. of unique reflections | 858032 (41628) |
| Completeness (%) | 98.9 (96.9) |
| Multiplicity | 6.0 (3.7) |
| 〈I/σ(I)〉 | 19.9 (2.3) |
| R r.i.m. † | 0.175 (0.714) |
| Overall B factor from Wilson plot (Å2) | 19.9 |
†
Estimated R r.i.m. = R merge[N/(N − 1)]1/2, where N is the data multiplicity.