TABLE 1.
Data collection and refinement statistics
ASU, asymmetric unit.
| S-TIM5-A | S-TIM5-C | S-TIM5-T | |
|---|---|---|---|
| Data collection | |||
| Space group | P6322 | C2 | P212121 |
| Mol/ASU | 1 | 12 | 6 |
| Beamline | ESRF ID23-1 | ESRF ID14-4 | ESRF ID14-4 |
| Cell dimensions | |||
| a, b, c (Å) | 78.1, 78.1, 80.6 | 134.5, 146.6, 100.0 | 75.9, 79.0, 126.5 |
| α, β, γ (°) | 90.0, 90.0, 120.0 | 90.0, 96, 90.0 | 90.0, 90.0, 90.0 |
| Resolution (Å) | 50.0-2.6 | 53.4-2.6 | 67.0-2.9 |
| Rsym or Rmerge | 0.07 (0.283)a | 0.088 (0.325) | 0.089 (0.349) |
| I/σI | 23.0 (8.3) | 11.1 (3.8) | 11.7 (4.0) |
| Completeness (%) | 100.0 (100.0) | 99.9 (100.0) | 99.8 (99.9) |
| Redundancy | 10.7 (11.4) | 4.0 (4.1) | 4.1 (4.3) |
| Refinement | |||
| Resolution (Å) | 2.6 | 2.6 | 2.9 |
| No. unique reflections | 4840 (672) | 60,000 (8747) | 17,452 (2511) |
| Reflections (work/test) | 4591/215 | 56,969/2905 | 17,399/880 |
| Rwork/Rfree (5%) | 0.215/0.272 | 0.233/0.268 | 0.212/0.268 |
| B-factors (mean) | 51.3 | 36.5 | 48.9 |
| R.m.s. deviations | |||
| Bond lengths (Å) | 0.01 | 0.011 | 0.13 |
| Bond angles (°) | 1.3 | 1.1 | 1.4 |
| Ramachandran (%) | |||
| Favored | 100 | 98 | 97 |
| Outliers | 0 | 0 | 1 |
| PDB code | 4P9E | 4P9C | 4P9D |
| Ligands/Mol | 1Zn, 1Cl | 1Zn, 1dCMP, 1dUMP | 1Zn, 1Cl, 1Mg, 1dTTP, 1dTMP |
a The numbers in parentheses corresponds to the highest resolution shell.