Table 1. Data collection and refinement statistics.
| SeMet HetR–DNA | HetR–DNA | PatS6–HetRHood | |
|---|---|---|---|
| Data collection | |||
| Space group | P41212 | P41212 | C2 |
| Cell dimensions | |||
| a, b, c (Å) | 91.27, 91.27, 243.11 | 90.56, 90.56, 242.32 | 218.22, 43.46, 55.11 |
| α, β, γ (°) | 90.00 | 90.00 | 90.00, 97.54, 90.00 |
| Resolution (Å) | 48.62-3.10 (3.27-3.10) | 50.00-2.80 (2.90-2.80) | 50.00-2.10 (2.15-2.10) |
| Rmerge | 13.9 (67.5) | 8.2 (53.5) | 13.8 (51.7) |
| I/σI | 11.5 (3.7) | 28.7 (6.8) | 7.8 (2.4) |
| Completeness (%) | 99.9 (100) | 99.4 (100) | 97.5 (95.1) |
| Redundancy | 10.7 (11.2) | 14.1 (14.6) | 2.9 (2.4) |
| Refinement | |||
| Resolution (Å) | 50.00–2.80 | 50.00–2.10 | |
| No. reflections | 25,553 | 29,699 | |
| Rwork/Rfree | 20.3/26.4 | 21.4/25.6 | |
| No. atoms | |||
| Protein | 4752 | 2606 | |
| Nucleic acid | 861 | ||
| Ligand/ion | 4 | 180 | |
| Water | 31 | 172 | |
| B-factors | |||
| Protein | 89.86 | 74.39 | |
| Nucleic acid | 65.14 | ||
| Ligand/ion | 103.54 | 65.07 | |
| Water | 73.20 | 44.19 | |
| R.m.s. deviations | |||
| Bond lengths (Å) | 0.007 | 0.012 | |
| Bond angles (°) | 1.256 | 1.378 | |
| PDB entry | 4YRV | 4YNL | |
Values in parentheses are for highest-resolution shell.