4ZY3
Crystal Structure of Keap1 in Complex with a small chemical compound, K67
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL44XU |
| Synchrotron site | SPring-8 |
| Beamline | BL44XU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-04-07 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 0.9 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 126.399, 75.193, 109.797 |
| Unit cell angles | 90.00, 105.35, 90.00 |
Refinement procedure
| Resolution | 33.460 - 1.800 |
| R-factor | 0.19072 |
| Rwork | 0.190 |
| R-free | 0.21178 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3wdz |
| RMSD bond length | 0.024 |
| RMSD bond angle | 2.341 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.830 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Number of reflections | 92289 | |
| <I/σ(I)> | 35.1 | |
| Completeness [%] | 100.0 | 99.7 |
| Redundancy | 3.6 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 100mM sodium HEPES (pH 7.5), 2.0M ammonium formate, 3% (w/v) 1,6-hexanediol |
