Table 3. Data-collection and processing statistics.
Values in parentheses are for the highest resolution shell.
| No. of crystals | 1 |
| Beamline | SBC 19-ID, APS |
| X-ray wavelength () | 0.97931 |
| Temperature (K) | 100 |
| Detector | ADSC Quantum 315r |
| Crystal-to-detector distance (mm) | 300 |
| Total rotation range () | 190 |
| Rotation per image () | 1.0 |
| Exposure time per image (s) | 3 |
| Space group | P21 |
| Unit-cell parameters (, ) | a = 89.19, b = 91.83, c = 92.02, = 90, = 103.75, = 90 |
| Resolution range () | 40.572.05 (2.092.05) |
| Total No. of observations | 349609 |
| No. of unique reflections | 89862 (4514) |
| I/(I) | 12.66 (2.02) |
| Data completeness (%) | 99.9 (99.6) |
| R merge † (%) | 14.0 (69.5) |
| R p.i.m.(I) (%) | 7.9 (43.4) |
| Wilson B factor (2) | 27.5 |
| Multiplicity | 3.9 (3.3) |
| Mosaicity () | 0.5031.367 |
†
R
merge = 
, where Ii(hkl) is the intensity of the ith measurement of an equivalent reflection with indices hkl.