Table 3. Data collection and processing.
Values in parentheses are for the outer shell.
| Diffraction source | Beamline 21-ID-F, APS |
| Wavelength (Å) | 0.97872 |
| Temperature (K) | 100 |
| Detector | RayoniX MX300HE CCD |
| Crystal-to-detector distance (mm) | 260 |
| Rotation range per image (°) | 1 |
| Total rotation range (°) | 200 |
| Space group | C2221 |
| a, b, c (Å) | 77.16, 121.19, 124.50 |
| α, β, γ (°) | 90, 90, 90 |
| Mosaicity (°) | 0.24 |
| Resolution range (Å) | 44.99–2.25 (2.31–2.25) |
| Total No. of reflections | 226034 (16920) |
| No. of unique reflections | 27864 (2010) |
| Completeness (%) | 99.3 (99.2) |
| Multiplicity | 8.1 (8.4) |
| 〈I/σ(I)〉 | 25.24 (3.14) |
| R r.i.m. † | 0.046 (0.661) |
| Overall B factor from Wilson plot (Å2) | 56.57 |
†
Estimated R r.i.m. = R merge[N/(N − 1)]1/2, where N is the data multiplicity.