8A46
Crystal structure of the human Kelch domain of Keap1 in complex with compound S217879
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 2 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-01-28 |
| Detector | DECTRIS EIGER2 X 9M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 61 |
| Unit cell lengths | 103.373, 103.373, 55.712 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 89.520 - 1.323 |
| R-factor | 0.1986 |
| Rwork | 0.198 |
| R-free | 0.20680 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | in house |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.030 |
| Data reduction software | autoPROC |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.8) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 89.540 | 1.404 |
| High resolution limit [Å] | 1.323 | 1.323 |
| Rmerge | 0.062 | 1.716 |
| Number of reflections | 61340 | 3006 |
| <I/σ(I)> | 19.6 | |
| Completeness [%] | 77.5 | |
| Redundancy | 14.1 | |
| CC(1/2) | 1.000 | 0.590 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 290 | 0.2M (NH4)2SO4 , 1.05M Li2SO4, 0.1M Sodium citrate pH5.6 |
