Table 1. Data collection and structure refinement.
| Data Collection | |
| Wavelength (Å) | 0.97915 |
| Space group | R32 |
| Unit Cell (Å, °) | a = b = 79.8, c = 280.2 α = β = 90, γ = 120 |
| Resolution (Å) | 50.0-3.05 (3.10-3.05)a |
| Unique reflections | 6 763 (325) |
| Redundancy | 6.4 (7.1) |
| Completeness (%) | 97.9 (100.0) |
| I/σI | 21.5 (3.5) |
| Rmergeb |
0.120 (0.853) |
| Refinement | |
| No. of reflections | 6 359 |
| Rwork/Rfreec (%) | 24.4/30.7 |
| R.m.s.d bond distance (Å) | 0.011 |
| R.m.s.d bond angle (°) | 1.351 |
| Average B-factor (Å2) | 68.5 |
aHigh-resolution shell is shown in parentheses.
bRmerge = ∑hkl∑i|Ii (hkl) − 〈I(hkl)〉 |/ ∑hkl∑iIi (hkl), where 〈I(hkl)〉 is the mean intensity of reflection I(hkl) and Ii (hkl) is the intensity of an individual measurement of reflection I(hkl).