Table 1.
Data collection and refinement statistics
| Apo | Binary | Ternary (open) | Ternary (closed) | Translocated product | |
|---|---|---|---|---|---|
| Data collection | |||||
| Space group | P212121 | P22121 | P22121 | P22121 | P22121 |
| Cell dimensions | |||||
| a, b, c (Å) | 72.8, 110.6, 111.8 | 66.1, 110.8, 149.1 | 66.5, 112.6, 145.5 | 72.3, 107.4, 147.7 | 69.1, 110.9, 151.1 |
| α, β, γ (°) | 90.0, 90.0, 90.0 | 90.0, 90.0, 90.0 | 90.0, 90.0, 90.0 | 90.0, 90.0, 90.0 | 90.0, 90.0, 90.0 |
| Resolution (Å) | 72.81–2.80 (2.95–2.8) | 88.93–3.0 (3.18–3.0) | 66.55–2.72 (2.85–2.72) | 50.0–3.2 (3.31–3.2) | 89.41–2.05 (2.1–2.05) |
| R merge | 0.319 (1.157) | 0.0912 (0.779) | 0.0738 (0.575) | 0.275 (1.100) | 0.034 (0.789) |
| CC1/2 | 0.659 (0.31) | 0.99 (0.483) | 0.992 (0.559) | 0.981 (0.701) | 0.998 (0.594) |
| I / σI | 7.4 (0.7) | 5.8 (1.0) | 7.6 (1.5) | 9.7 (1.5) | 11.0 (1.1) |
| Completeness (%) | 86.4 (83.2) | 99.7 (98.8) | 97.4 (97.9) | 99.6 (99.2) | 94.9 (90.6) |
| Redundancy | 10.5 (10.7) | 12.0 (11.6) | 3.7 (3.7) | 7.0 (6.5) | 11.3 (9.6) |
| Refinement | |||||
| Resolution (Å) | 49.57–2.8 (2.90–2.80) | 88.93–3.0 (3.12–3.0) | 49.1–2.72 (2.79–2.72) | 43.42–3.2 (3.29–3.2) | 45.85–2.05 (2.11–2.05) |
| No. reflections | 19,774 (1872) | 22,538 (2156) | 29,340 (2891) | 19,530 (1919) | 69,934 (6584) |
| R work/R free | 0.268/0.317 (0.426/0.446) | 0.236/0.283 (0.325/0.366) | 0.214/0.268 (0.330/0.369) | 0.256/0.295 (0.366/0.386) | 0.190/0.235 (0.365/0.446) |
| No. atoms | 5742 | 6743 | 6746 | 6680 | 7149 |
| Protein | 5742 | 6214 | 6214 | 6120 | 6210 |
| Duplex/tATP | – | 529 | 506/20 | 528/29 | 592 |
| Solvent/Mg2+ | – | – | 5/1 | 1/2 | 347/0 |
| B-factors | 111.8 | 70.3 | 53.1 | 101.3 | 53.4 |
| Protein | 111.8 | 68.9 | 52.2 | 99.58 | 52.7 |
| Duplex/tATP | – | 86.8/– | 64.8/45.9 | 122.9/84.0 | 60.4 |
| Solvent/ Mg2+ | – | – | 109.5/44.6 | 64.8/71.6 | 54.5/0 |
| Rms deviations | |||||
| Bond lengths (Å) | 0.002 | 0.007 | 0.004 | 0.002 | 0.013 |
| Bond angles (°) | 0.58 | 0.85 | 0.61 | 0.54 | 1.15 |