5FNU
Structure of the Keap1 Kelch domain in complex with a small molecule inhibitor.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ |
| Temperature [K] | 93 |
| Detector technology | CCD |
| Collection date | 2013-04-30 |
| Detector | RIGAKU CCD |
| Spacegroup name | P 61 |
| Unit cell lengths | 103.297, 103.297, 56.434 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 51.650 - 1.780 |
| R-factor | 0.16807 |
| Rwork | 0.166 |
| R-free | 0.20487 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1x2j |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.439 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.8.0107) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 51.650 | 1.840 |
| High resolution limit [Å] | 1.780 | 1.780 |
| Rmerge | 0.040 | 0.190 |
| Number of reflections | 28698 | |
| <I/σ(I)> | 18.7 | 3.5 |
| Completeness [%] | 87.5 | 44.1 |
| Redundancy | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 0.3-0.6 (NH4)2SO4, 0.4-1.4 M LI2SO4 AND 0.1 M NA3CITRATE-HCL PH 5.6 |
