5FNT
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 | 2012-05-15 |
Detector | RIGAKU CCD |
Spacegroup name | P 61 |
Unit cell lengths | 103.349, 103.349, 56.360 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 90.600 - 1.790 |
R-factor | 0.172 |
Rwork | 0.170 |
R-free | 0.20219 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1x2j |
RMSD bond length | 0.011 |
RMSD bond angle | 1.467 |
Data reduction software | XDS |
Data scaling software | SCALA |
Refinement software | REFMAC (5.8.0107) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 89.500 | 1.830 |
High resolution limit [Å] | 1.790 | 1.790 |
Rmerge | 0.060 | 0.180 |
Number of reflections | 29094 | |
<I/σ(I)> | 10.3 | 2.6 |
Completeness [%] | 90.6 | 51.7 |
Redundancy | 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 |