6TYM
KEAP1 Kelch domain in complex with Compound 9
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 31-ID |
| Synchrotron site | APS |
| Beamline | 31-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-06-16 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.98 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 63.882, 91.766, 96.951 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.308 - 1.422 |
| R-factor | 0.141 |
| Rwork | 0.141 |
| R-free | 0.16500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4iqk |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.308 | 1.500 |
| High resolution limit [Å] | 1.422 | 1.422 |
| Rmerge | 0.140 | 0.920 |
| Number of reflections | 53482 | 7662 |
| <I/σ(I)> | 9.2 | 2.7 |
| Completeness [%] | 99.6 | 99.1 |
| Redundancy | 7.4 | 7.3 |
| CC(1/2) | 0.970 | 0.430 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 289 | 0.9M ammonium citrate and 100mM HEPES pH 7.0 |
