Table 1.
Data collection and refinement statistics.[a] Keap1 BTB domain in complex with 5.
| Wavelength [Å] | 0.91814 |
| Resolution range [Å] | 36.8–2.2 (2.28–2.20) |
| Space group | P 65 2 2 |
| Unit cell | a=42.491, b=42.491, c=265.213 |
| Total reflections | 47 296 (4 795) |
| Unique reflections | 7 968 (752) |
| Multiplicity | 5.9 (6.4) |
| Completeness [%] | 98.73 (99.08) |
| Mean I/σ(I) | 9.33 (0.57) |
| Wilson B‐factor [Å2] | 50.25 |
| R‐meas | 0.149 (3.161) |
| CC 1/2 | 1.00 (0.33) |
| Reflections used in refinement | 7 946 (750) |
| R‐work | 0.2506 (0.4153) |
| R‐free | 0.2919 (0.3979) |
| No. non‐hydrogen atoms | 1 085 |
| No. macromolecule atoms | 1 052 |
| No. ligand atoms | 15 |
| No. solvent molecules | 18 |
| No. protein residues | 131 |
| RMS(bonds) [Å] | 0.002 |
| RMS(angles) [°] | 0.40 |
| Ramachandran favored [%] | 96.90 |
| Ramachandran outliers [%] | 0.00 |
| Rotamer outliers [%] | 0.00 |
| Average B‐factor [Å2] | 71.21 |
| Average macromolecules | 71.63 |
| Average ligands | 59.33 |
| Average solvent molecules | 56.54 |
[a] Values for the highest‐resolution shell are shown in parentheses.