Table 2. Data collection and refinement statistics.
| Data collection | Monomer | Dimer |
|---|---|---|
| Wavelength (Å) | 1.2724 | 0.9792 |
| Space group | I432 | P6422 |
| Unit-cell parameters | a = b = c = 175.78Å | a = b = 167.53 c = 227.63Å |
| Resolution (Å) | 3.06 (3.11–3.06)a | 3.50(3.56–3.50) |
| unique reflections | 9118 (440) | 24306(1185) |
| Completeness (%) | 100 (100) | 99.8(99.9) |
| Redundancy | 82.1 (85.8) | 10.3(10.5) |
| Mean I/ơ (I) | 112.3 (21.8) | 26.4(3.7) |
| Molecules in asymmetric unit | 1 | 2 |
| Rmerge (%) | 10.9 (52.5) | 14.1(80.5) |
| Structure refinement | ||
| Resolution range (Å) | 47.0–3.06 | 33.2–3.51 |
| Rwork/Rfree (%) | 22.5/26.9 | 25.9/30.6 |
| Average B factor (Å2) | ||
| Main chain | 49.62 | 113.9 |
| Side chain | 52.44 | 122.5 |
| Number of atoms | ||
| Residues | 256 | 560 |
| Protein | 2018 | 4412 |
| Ramachandran plot (%) | ||
| Most favored | 89.7 | 89.2 |
| Allowed | 8.4 | 9.9 |
| Disallowed | 1.9 | 0.9 |
| R.m.s. deviations | ||
| Bond lengths (Å) | 0.012 | 0.004 |
| Bond angles (°) | 1.85 | 0.87 |
a the values in parenthesis are for the highest resolution shell.