Table 2.
Data collection and refinement statistics.
| Complex | Apo | |
|---|---|---|
| Data collection | ||
| Space group | R3 (H3) | C2 |
| Unit Cell Parameters | a = b = 147.5 Å,c = 112.8 Å | a = 139.4 Å, b = 41.2 Å, c = 156.0 Å, β = 113.1° |
| Resolution [Å] | 50.0–2.10 (2.14–2.10) | 50.0–2.05 (2.09–2.05) |
| No. of unique reflections | 53509 (2696) | 52059 (2581) |
| Completeness [%] | 100 (100) | 99.9 (100) |
| R sym [%]a | 11.5 (85.7) | 8.3 (61.9) |
| Redundancy | 5.8 (5.6) | 4.4 (4.3) |
| I/σ(I) | 23.1 (2.6) | 22.8 (2.3) |
| Refinement | ||
| Resolution range [Å] | 26.33–2.10 (2.15–2.10) | 29.65–2.05 (2.10–2.05) |
| Twin law | k, h, −l | — |
| Twin fraction | 0.330 | — |
| No. of atoms | ||
| Proteins | 6239 | 6227 |
| ssDNA | 64 | 0 |
| PO4 | 0 | 10 |
| Water molecules | 156 | 194 |
| R work (%)b | 16.3 (20.3) | 21.7 (26.7) |
| R free (%)c | 18.5 (23.6) | 25.5 (31.0) |
| RMSD bond length [Å] | 0.007 | 0.010 |
| RMSD bond angle [°] | 1.30 | 1.45 |
Values in parentheses correspond to the highest resolution shell.
a R sym = 100 × Σ|I hkl − <I hkl> |Σ I hkl, <I hkl> is the mean value of I hkl.
b R work = 100 × Σ||F o| − |F c||/Σ|F o|.
c Rfree was calculated from the test set (5% of the total data).