5FZJ
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 | 2011-08-03 |
Detector | RIGAKU CCD |
Spacegroup name | P 61 |
Unit cell lengths | 103.483, 103.483, 56.094 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.000 - 2.010 |
R-factor | 0.16947 |
Rwork | 0.167 |
R-free | 0.21401 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1x2j |
RMSD bond length | 0.010 |
RMSD bond angle | 1.483 |
Data reduction software | XDS |
Data scaling software | SCALA |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.000 | 2.040 |
High resolution limit [Å] | 2.010 | 2.010 |
Rmerge | 0.040 | 0.200 |
Number of reflections | 21811 | |
<I/σ(I)> | 13.5 | 4 |
Completeness [%] | 94.6 | 84.3 |
Redundancy | 2.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7 | 0.3-0.6 M (NH4)2SO4, 0.4-1.4 M LI2SO4, 0.1 M NA3CITRATE-HCL PH 5.6 |