TABLE 1.
Crystallographic data
| Parameter (unit) | Valuea |
|---|---|
| Space group | I222 |
| Wavelength (Å) | 1.038 |
| Unit cell parameters (Å) | 170.0, 414.5, 693.0 |
| Resolution range (Å) | 20-3.4 |
| Mosaicity (°) | 0.3 |
| Number of unique reflections | 273,922 |
| Completeness (%) | 82.7 (70.1) |
| Rmerge (%) | 18.1 (49.3) |
| 〈I〉/〈σ(I)〉 | 3.4 (1.5) |
| Redundancy | 3.4 (2.2) |
| Rfactor/Rfree (%) | 28.0/34.0 |
| Root mean square deviations from ideality | |
| Bond lengths (Å) | 0.011 |
| Bond angles (°) | 1.7 |
a
Values in parentheses refer to the highest-resolution shell (3.46 to 3.4 Å).