Table 1.
Data collection and refinement statistics 1.
| TglT D82A alone expressed Se-Met crystal | TglT WT co-expressed with TakA | TglT S78A alone expressed | TglT E146Q alone expressed | |
|---|---|---|---|---|
| (PDB ID: 6J7T) | (PDB ID: 6J7S) | (PDB ID: 6J7Q) | (PDB ID: 6J7O) | |
| Data collection | ||||
| Space group | P3221 | P3221 | P3221 | P3221 |
| Cell dimensions | ||||
| a, b, c (Å) | 94.69, 94.69, 61.84 | 95.89, 95.89, 68.89 | 95.41, 95.41, 68.13 | 95.44, 95.44, 69.21 |
| α, β, γ (°) | 90.00, 90.00, 120.00 | 90.00, 90.00, 120.00 | 90.00, 90.00, 120.00 | 90.00, 90.00, 120.00 |
| Resolution (Å) | 49.37 (1.86) | 28.56 (2.10) | 39.07 (1.85) | 39.28 (1.90) |
| Rsym | 0.176 (1.33) | 0.081 (0.746) | 0.056 (0.961) | 0.078 (1.12) |
| I/σI | 14.94 (1.65) | 23.47 (3.18) | 22.42 (2.45) | 17.42 (2.01) |
| Completeness (%) | 97.3 (83.4) | 99.9 (99.9) | 99.9 (99.5) | 99.8 (99.4) |
| Redundancy | 18.67 (12.46) | 11.04 (11.23) | 9.98 (10.12) | 9.97 (9.98) |
| Refinement | ||||
| Resolution (Å) | 49.37 (1.90) | 28.56 (2.10) | 39.08 (1.85) | 39.28 (1.90) |
| No. reflections | 48568 | 21589 | 30867 | 28961 |
| Rwork/Rfree | 0.1883/0.2057 (0.4065/0.4211) | 0.1994/0.2311 (0.2463/0.2872) | 0.1939/0.2198 (0.3017/0.3345) | 0.1953/0.2162 (0.3109/0.3843) |
| No. atoms | ||||
| Protein | 2251 | 2214 | 2233 | 2228 |
| Ligand/ion | 0 | 10 | 0 | 0 |
| Water | 196 | 204 | 217 | 196 |
| B-factors | ||||
| Protein | 33.03 | 41.92 | 48.07 | 49.07 |
| Ligand/ion | 0 | 40.87 | 0 | 0 |
| Water | 38.18 | 40.94 | 48.36 | 48.04 |
| R.m.s. deviations | ||||
| Bond lengths (Å) | 0.003 | 0.004 | 0.009 | 0.007 |
| Bond angles (°) | 0.706 | 0.731 | 0.843 | 0.924 |
Values in parentheses are for highest-resolution shell.