Table 1. Data-collection and processing statistics.
Values in parentheses are for the highest resolution shell.
| No. of crystals | 1 |
| Beamline | 24-ID-E, APS |
| Wavelength (Å) | 0.97916 |
| Detector | ADSC Quantum 315 |
| Crystal-to-detector distance (mm) | 450 |
| Rotation range per image (°) | 1 |
| Total rotation range (°) | 120 |
| Exposure time per image (s) | 1.5 |
| Resolution range (Å) | 50.0–3.25 (3.43–3.25) |
| Space group | P6122 |
| Unit-cell parameters (Å, °) | a = b = 100.1, c = 301.8, α = β = 90, γ = 120 |
| Mosaicity (°) | 0.26 |
| Total No. of measured intensities | 203233 |
| Unique reflections | 14971 |
| Multiplicity | 13.6 (14.2) |
| Mean I/σ(I) | 18.5 (5.7) |
| Completeness (%) | 99.9 (100) |
| Rmerge† (%) | 8.4 (48.2) |
| Rmeas‡ (%) | 8.7 (50.1) |
| Overall B factor from Wilson plot (Å2) | 117.9 |
R
merge =
, where Ii(hkl) is the ith observation of reflection hkl and 〈I(hkl)〉 is the weighted average intensity for all i observations of reflection hkl.
R meas is the redundancy-independent (multiplicity-weighted) R merge.