Table 1.
Data collection and refinement statistics
| Ciclopirox bound Cp149-Y132A | |
|---|---|
| Data collection | |
| Space group | C2 |
| Cell dimensions | |
| a, b, c (Å) | 153.9, 88.5, 99.1 |
| α, β, γ (°) | 90.0, 121.1, 90.0 |
| Resolution (Å) | 50.0–2.3 (2.38–2.30)* |
| Rsym or Rmerge | 0.049 (0.292)* |
| I / σI | 30.1 (3.1)* |
| Completeness (%) | 99.2 (99.3)* |
| Redundancy | 3.5 (3.3)* |
| Refinement | |
| Resolution (Å) | 50.0–2.3 |
| No. reflections | 47,285/2382 |
| Rwork / Rfree | 25.8/30.4 |
| No. atoms | |
| Protein | 6609 |
| Ligand/ion | 45 |
| Water | 292 |
| B-factors (Å2) | |
| Protein | 79.9 |
| Ligand/ion | 118.6 |
| Water | 82.8 |
| R.m.s. deviations | |
| Bond lengths (Å) | 0.004 |
| Bond angles (°) | 1.367 |
*Values in parentheses are for highest-resolution shell