Table 1.
Statistics from crystallographic analysis.
| RecJ-dTMP | RecJd-DNA | RecJd-DNA-SSBct | |
|---|---|---|---|
| Complex I | Complex II | Complex III | |
| Data collection | |||
| Space group | P 3221 | P 3221 | P 3221 |
| Cell dimensions a, b, c (Å) | 106.53 | 105.83 | 102.22 |
| 106.53 | 105.82 | 102.22 | |
| 161.90 | 165.40 | 166.12 | |
| Wavelength (Å) | 0.9792 | 0.9792 | 0.9792 |
| Resolution (Å) | 30–2.7 (2.77–2.70) | 30–2.6 (2.66–2.60) | 30–2.3 (2.35–2.30) |
| R-meas | 5.5 (64.1) | 6.5 (79.1) | 7.4 (63.7) |
| I/σI | 27.0 (4.0) | 22.6 (3.0) | 17.0 (2.9) |
| Completeness (%) | 98.9 (99.5) | 99.6 (99.4) | 99.4 (94.1) |
| Redundancy | 8.9 | 8.3 | 7.2 |
| Refinement | |||
| Resolution (Å) | 30–2.7 | 30–2.6 | 30–2.3 |
| No. reflections | 29747 | 33594 | 45296 |
| Rwork/Rfree | 20.61/25.20 | 18.47/22.84 | 22.56/23.89 |
| No. atoms | |||
| Protein/DNA | 5262/- | 5373/286 | 5342/182 |
| Ligand/Ion | 21/2 | 35/2 | 55/2 |
| Waters | 12 | - | 142 |
| B factors | |||
| Protein/DNA | 79.8/- | 70.4/103.9 | 58.2/93.7 |
| Ligand/Ion | 66.7/76.6 | 99.8/68.2 | 74.5/61.9 |
| Water | 62.7 | - | 48.9 |
| Rmsd | |||
| Bond length (Å) | 0.012 | 0.005 | 0.012 |
| Bond Angle (°) | 1.085 | 0.849 | 1.464 |
| Ramachandran statitics | |||
| Favored (%) | 98.0 0 |
99.1 | 98.9 |
| Allowed (%) | 2.0 | 0.9 | 1.1 |
| Outliers (%) | 0 | 0 | 0 |
Values in parentheses refer to the highest resolution shell.
R factor = Σ||F(obs)- F(calc)||/Σ|F(obs)|.
Rfree = R factor calculated using 5.0% of the reflection data randomly chosen and omitted from the start of refinement.
RecJd denotes catalytic inactive drRecJ (H160A).