Table 2.
Selected crystal data, X-ray data collection statistics, and refinement parametersa
| Complex | Insertion | Extension |
|---|---|---|
| Data Collection | ||
| Space group | P61 | P61 |
| Unit cell constants: a, b, c [Å] | 98.99, 98.99, 81.47 | 98.67, 98.67, 81.74 |
| Unit cell constants: α, β, γ [°] | 90, 90, 120 | 90, 90, 120 |
| Resolution [Å] | 32.40–2.35 (2.41–2.35) | 30.00–2.87 (2.92–2.87) |
| Wavelength [Å] | 1.12723 | 1.12723 |
| No. of unique reflections | 18,885 (1397) | 10,308 (536) |
| Completeness [%] | 99.50 (99.50) | 98.50 (99.30) |
| R-merge | 0.087 (0.674) | 0.106 (0.697) |
| R-pim | 0.064 (0.499) | 0.049 (0.392) |
| I/σ(I) | 10.30 (2.10) | 15.68 (1.98) |
| Redundancy | 5.30 (5.30) | 5.40 (4.10) |
| Refinement | ||
| No. of protein molecules/DNA duplexes per a.u. | 1/1 | 1/1 |
| Resolution [Å] | 32.40–2.35 (2.47–2.35) | 29.53–2.87 (3.28–2.87) |
| Number of reflections | 18,867 (2559) | 10,282 (3295) |
| R-work | 0.189 (0.230) | 0.204 (0.262) |
| R-free | 0.244 (0.292) | 0.251 (0.331) |
| No. of protein/nucleotide atoms | 3327/393 | 3225/374 |
| No. of waters/ions/ligands | 90/3/7 | 23/2/1 |
| R.m.s. deviations bonds [Å] | 0.008 | 0.004 |
| R.m.s. deviations angles [°] | 1.00 | 0.75 |
| Avg. B-factor, protein/nucleotide atoms [Å2] | 48.82/49.69 | 52.81/53.35 |
| Avg. B-factor, H2O/ions/ligands [Å2] | 48.05/67.64/53.90 | 48.77/50.07/43.20 |
| PDB entry code | 8EVE | 8EVF |
a
Numbers in parentheses refer to the outermost shell.