Table 1. Data-collection statistics.
Values in parentheses are for the highest resolution shell.
| Space group | R3 |
| Radiation source | SER-CAT 22ID, APS |
| Unit-cell parameters (hexagonal setting) (Å, °) | a = b = 102.5, c = 97.5, α = β = 90.0, γ = 120 |
| Temperature (K) | 100 |
| Wavelength (Å) | 1.0 |
| Oscillation range (°) | 1.0 |
| Crystal-to-detector distance (mm) | 200 |
| No. of frames | 180 |
| Resolution range (Å) | 25.0–2.40 (2.49–2.40) |
| Total reflections | 53779 |
| Unique reflections | 14925 |
| Average redundancy | 3.6 |
| 〈I/σ(I)〉 | 6.2 (2.8) |
| Overall B factor (Å2) | 68.8 |
| Completeness (%) | 99.1 (99.8) |
| Rmerge† (%) | 11.7 (45.0) |
R
merge =
, where 〈I(hkl)〉 is the mean intensity of reflection hkl and I
i(hkl) is the ith measurement of the intensity of reflection hkl.