5LBY
Structure of the human quinone reductase 2 (NQO2) in complex with crenolanib
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-11-30 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.979 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 61.586, 79.401, 106.571 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.300 - 1.400 |
R-factor | 0.10615 |
Rwork | 0.105 |
R-free | 0.12544 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 5lbu |
RMSD bond length | 0.018 |
RMSD bond angle | 1.872 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0151) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.300 | 1.450 |
High resolution limit [Å] | 1.400 | 1.400 |
Rmerge | 0.038 | 0.276 |
Number of reflections | 96394 | |
<I/σ(I)> | 22.6 | 5.12 |
Completeness [%] | 93.0 | 94.7 |
Redundancy | 4.6 | 4.4 |
CC(1/2) | 0.999 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 293 | 180 mM tri-ammonium citrate, 2.2 M ammonium sulphate |