Table 1.
X-ray data and refinement statistics
| RT-RNA/DNA- dATP | RT-RNA/DNA-NVP | RT-gapped RNA/DNA-NVP | RT-bulged RNA/ DNA-NVP | ||
|---|---|---|---|---|---|
| PDB ID | 4PQU | 4PUO | 4Q0B | 4PWD | |
| Data collection | |||||
| Space group | P21 | P21 | P21 | P21 | |
| Cell dimensions | |||||
| a, b, c (Å) | 89.44, 128.29, 130.68 | 89.74, 132.13, 141.96 | 89.72, 131.05, 141.63 | 89.68, 130.77, 141.87 | |
| α, β, γ (°) | 90, 101.76, 90 | 90, 100.63, 90 | 90, 100.69, 90 | 90, 100.75, 90 | |
| Resolution (Å) | 50.0–2.5 (2.54 –2.5)* | 50.0–2.9 (2.95 – 2.9) | 50–3.3 (3.36 – 3.3) | 50.0 – 3.0 (3.05 – 3.0) | |
| Rmerge | 0.102 (0.532) | 0.093 (0.687) | 0.142 (0.670) | 0.097 (0.669) | |
| I / σ(I) | 9.7 (1.8) | 8.8 (1.3) | 7.0 (1.4) | 10.3 (1.6) | |
| Completeness (%) | 98.4 (96.7) | 98.8 (94.3) | 98.6 (97.6) | 96.2 (90.9) | |
| Redundancy | 3.6 (3.0) | 3.5 (2.7) | 3.0 (2.5) | 3.6 (3.0) | |
| Refinement | |||||
| Resolution (Å) | 40.5 – 2.5 | 46.5 – 2.9 | 46.4 – 3.3 | 44.7 – 3.0 | |
| Cut-off criteria | F ≤ 1.4 | F ≤ 0 | F ≤ 0 | F ≤ 0 | |
| No. reflections (Rfree set) | 96 925 (2922) | 70 967 (2135) | 47 845 (1419) | 61 963 (1837) | |
| Rwork / Rfree | 0.202/0.266 | 0.228/0.285 | 0.237/0.317 | 0.221/0.291 | |
| No. atoms: | |||||
| Protein+DNA | 17 300 | 17 427 | 17 3781 | 17 461 | |
| Ligand/ion/solvent | 60/4/450 | 40 | 40/2/5 | 40/2 | |
| Stereochemistry (RMSDs) | |||||
| Bond lengths (Å) | 0.01 | 0.015 | 0.013 | 0.015 | |
| Bond angles (°) | 1.26 | 1.79 | 1.77 | 1.65 |
One crystal was used for each data set. *Values in parentheses are for highest-resolution shell.