Table 1.
Crystallographic data collection and refinement statistics
| BrxR Native | |
|---|---|
| PDB ID code | 7QFZ |
| Number of crystals | 1 |
| Beamline | Diamond I04 |
| Wavelength, Å | 0.9795 |
| Resolution range, Å | 82.35–2.15 (2.15–2.19) |
| Space group | P 41 22 |
| Unit cell | |
| a b c (Å) | 131.13 131.13 358.369 |
| α β γ (°) | 90.000 90.000 90.000 |
| Total reflections | 324,782 |
| Unique reflections | 169,928 |
| Multiplicity | 1.9 |
| Completeness (%) | 100 |
| Mean I/sigma(I) | 9.5 |
| R merge | 0.04 |
| R meas | 0.057 |
| CC1/2 | 0.998 |
| R work | 0.216 |
| R free | 0.241 |
| No. of non-hydrogen | |
| atoms | 19,401 |
| Macromolecules | 80 |
| Ligands | 16 |
| Solvent | 884 |
| Protein Residues | 2,276 |
| RMSD (bonds, Å) | 0.008 |
| RMSD (angles, °) | 1.16 |
| Ramachandran favoured (%) | 96.85 |
| Ramachandran allowed (%) | 3.15 |
| Ramachandran outliers (%) | 0 |
| Average B-factor | 59 |
| Macromolecules | 60.05 |
| Ligands | 63.06 |
| Solvent | 53.13 |