Table 2.
Crystal parameters, data collection, and refinement statistics
| TmaACT-PfuDAH7PS in complex with Tyr | |
| Data collection | |
| Crystal system; space group | Orthorhombic; P212121 |
| Unit cell parameters (Å) a, b, c | 76.9, 130.9, 138.1 |
| Resolution range (Å) | 37.94–3.00 (3.08–3.00) |
| Total no. of reflections | 80,989 |
| Unique reflections | 27,079 |
| Redundancy | 3.0 (3.0) |
| Completeness (%) | 95.5 (97.6) |
| I/σ(I) | 7.0 (1.7) |
| Rmerge | 0.101 (0.581) |
| Wilson B-value (Å2) | 68.1 |
| Refinement | |
| Resolution (Å) | 37.94–3.00 |
| Rcryst | 0.192 |
| Rfree | 0.248 |
| Chain length | 333 |
| Observed number of residues (chains A, B, C, and D) | 333, 333, 332, 331 |
| Water molecules | 23 |
| Other (Tyr) | 4 |
| Mean B (Å2) | |
| Protein | 82.2 |
| Water | 30.9 |
| Other (Tyr) | 66.6 |
| rmsd from ideal values | |
| Bond lengths (Å) | 0.007 |
| Bond angles (°) | 1.1 |
| Dihedral angles (°) | 4.8 |
| Ramachandran plot | |
| Preferred (%) | 94.38 (1,243 residues) |
| Allowed (%) | 5.54 (73 residues) |
| Outliers (%) | 0.08 (1 residue) |
| PDB ID code | 4GRS |