Table 2. X-ray data collection and refinement statistics.
| EcoDMT-Br-BIT complex | |
|---|---|
| Data collection | |
| Space group | C2 |
| Cell dimensions | |
| a, b, c (Å) | 150.0, 81.7, 95.6 |
| α, β, γ (°) | 90, 107.4, 90 |
| Wavelength (Å) | 0.92 |
| Resolution (Å) | 50–3.8 (3.9–3.8)* |
| Rmerge (%) | 9.8 (154.6) |
| CC½ (%) | 100.0 (81.7) |
| I /σI | 15.6 (2.1) |
| Completeness (%) | 99.3 (99.3) |
| Redundancy | 14.3 (13.9) |
| Refinement | |
| Resolution (Å) | 12–3.8 |
| No. Reflections | 10576 |
| Rwork/Rfree (%) | 21.6/25.8 |
| No. atoms | |
| Protein | 3780 |
| Ligand/ion | 17 |
| Water | - |
| B factors | |
| Protein | 171.3 |
| Ligand/ion | 237.1 |
| r.m.s. deviations | |
| Bond lengths (Å) | 0.005 |
| Bond angles (°) | 0.65 |
*Values in parentheses are for highest-resolution shell.