Table 1. Data collection and processing.
Values in parentheses are for the highest resolution shell.
| Diffraction source | Beamline 24-ID-E, APS |
| Wavelength (Å) | 0.97918 |
| Temperature (K) | 100 |
| Detector | ADSC Quantum 315 CCD |
| Crystal-to-detector distance (mm) | 300 |
| Rotation range per image (°) | 0.75 |
| Total rotation range (°) | 90 |
| Exposure time per image (s) | 1 |
| Space group | P212121 |
| a, b, c (Å) | 58.39, 81.61, 106.81 |
| Mosaicity (°) | 0.317 |
| Resolution range (Å) | 50.00–2.15 (2.19–2.15) |
| Total no. of reflections | 260436 |
| No. of unique reflections | 28521 (1406) |
| Completeness (%) | 99.5 (99.9) |
| Multiplicity | 3.60 (3.50) |
| 〈I/σ(I)〉 | 10.46 (2.05) |
| R r.i.m. † | 0.155 (0.864) |
| Overall B factor from Wilson plot (Å2) | 30.46 |
†
Estimated R r.i.m. = R merge[N/(N − 1)]1/2, where N is the data multiplicity.