Extended Data Table 1: Data collection and refinement statistics for crystal structures.
Table shows crystallography refinement data. Values in parentheses are for highest resolution shell.
| KEAR1BTB | KEAP1BTB F64A | KEAP1BTB V98A | KEAP1BTB F64A - FBXL17 - SKP1 | |
|---|---|---|---|---|
| Data collection | ||||
| Beamline | ALS 8.3.1 | ALS 8.3.1 | ALS 8.3.1 | ALS 8.3.1 |
| Space Group | P6822 | P6822 | P6822 | P3221 |
| Cell dimensions | ||||
| a, b, c (Å) | 42.68, 42.68, 266.24 | 42.64, 42.64, 264.85 | 42.62, 42.62, 268.46 | 183.6, 183.6, 55.4 |
| α, β, γ (°) | 90, 90, 120 | 90, 90, 120 | 90, 90, 120 | 90, 90, 120 |
| Resolution (Å) | 44.37-2.20 (2.27-2.20) | 44.14-2.50 (2.60-2.50) | 36.91-2.55 (2.66-2.55) | 159.06-3.207 (3.43-3.21) |
| No. unique reflections | 8147 (772) | 5502 (448) | 5358 (522) | 17739 (1711) |
| Rmerge | 0.198 (3.835) | 0.172 (1.878) | 0.167 (3.271) | 0.289 (4.145) |
| I/σI | 16.1 (1.1) | 11.3 (1.0) | 11.9 (0.8) | 7.6 (0.7) |
| CC1/2 | 1 (0.713) | 1 (0.617) | 1 (0.405) | 1 (0.452) |
| Completeness (%) | 99.78 (99.61) | 97.95 (86.99) | 99.39 (98.10) | 98.44 (89.46) |
| Redundancy | 24.5 (26.4) | 11.8 (8.2) | 9.6 (9.5) | 10.6 (10.2) |
| Refinement | ||||
| Resolution (Å) | 44.37-2.20 (2.28-2.20) | 44.14-2.50 (2.59-2.50) | 36.91-2.55 (2.64-2.55) | 79.529-3.207 (3.32-3.21) |
| No. reflections | 8129 (769) | 5493 (447) | 5349 (516) | 17524 (1579) |
| Rwork | 0.2382 (0.3330) | 0.2331 (0.2878) | 0.2543 (0.4043) | 0.2456 (0.4179) |
| Rfree | 0.3053 (0.4307) | 0.2929 (0.3545) | 0.3114 (0.4334) | 0.2891 (0.4232) |
| No. atoms | 1029 | 1017 | 1015 | 5219 |
| Protein | 1006 | 1000 | 1012 | 5219 |
| Ligand/ion | 0 | 0 | 0 | 0 |
| Water | 23 | 17 | 3 | 0 |
| Wilson B factor (Å2) | 46.52 | 51.83 | 66.68 | 101.91 |
| Average B factor (Å2) | 55.82 | 55.33 | 69.61 | 122.25 |
| Protein | 55.96 | 55.47 | 69.66 | 122.25 |
| Water | 49.81 | 47.33 | 51.36 | - |
| R.M.S deviations | ||||
| Bond lengths (Å) | 0.0069 | 0.0015 | 0.0039 | 0.0018 |
| Bond angles (°) | 0.85 | 0.44 | 1.01 | 0.43 |
| Ramachandran plot | ||||
| Favored [%] | 97.64 | 100 | 96.06 | 90.78 |
| Allowed [%] | 2.36 | 0 | 2.36 | 8.76 |
| Outliers [%] | 0 | 0 | 1.80 | 0.46 |