Table 2. Data-collection and processing information.
Values in parentheses are for the outer shell.
| Diffraction source | Beamline AR-NW12A, Photon Factory |
| Wavelength (Å) | 0.978 |
| Temperature (K) | 100 |
| Detector | ADSC Quantum 210 CCD |
| Crystal-to-detector distance (mm) | 150 |
| Rotation range per image (°) | 1 |
| Total rotation range (°) | 200 |
| Exposure time per image (s) | 1 |
| Space group | P4 |
| a, b, c (Å) | 75.36, 75.36, 91.01 |
| α, β, γ (°) | 90, 90, 90 |
| Mosaicity (°) | 0.18–0.29 |
| Resolution range (Å) | 50.00–2.00 (2.03–2.00) |
| Total No. of reflections | 291560 |
| No. of unique reflections | 34452 (1710) |
| Completeness (%) | 99.9 (100) |
| Multiplicity | 8.5 (8.2) |
| 〈I/σ(I)〉 | 79.8 (41.7) |
| R merge † | 0.107 (0.164) |
| Overall B factor from Wilson plot (Å2) | 20.6 |
†
R
merge = 
, where Ii(hkl) is the ith measurement and I(hkl) is the weighted mean of all measurements of I (hkl).