7YEN
Crystal structure of the Keap1 Kelch domain in complex with Caffeic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-X |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-12-02 |
| Detector | RIGAKU HyPix-6000HE |
| Wavelength(s) | 2.0 |
| Spacegroup name | P 61 |
| Unit cell lengths | 103.080, 103.080, 54.761 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 23.328 - 2.800 |
| Rwork | 0.183 |
| R-free | 0.23690 |
| Structure solution method | AB INITIO PHASING |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.568 |
| Data reduction software | CrysalisPro |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0253) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 23.328 | 2.871 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Number of reflections | 8306 | 8308 |
| <I/σ(I)> | 45.15 | |
| Completeness [%] | 99.8 | |
| Redundancy | 7.8 | |
| CC(1/2) | 0.998 | 0.998 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | Ammonium sulfate, Lithium sulfate, Sodium citrate, pH 5.5 |
