5A4K
Crystal structure of the R139W variant of human NAD(P)H:quinone oxidoreductase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Detector | DECTRIS PILATUS 2M-F |
Spacegroup name | P 1 |
Unit cell lengths | 54.606, 56.928, 99.827 |
Unit cell angles | 100.37, 92.85, 90.22 |
Refinement procedure
Resolution | 49.033 - 2.093 |
R-factor | 0.1709 |
Rwork | 0.169 |
R-free | 0.20130 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1qbg |
RMSD bond length | 0.003 |
RMSD bond angle | 0.951 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.030 | 2.170 |
High resolution limit [Å] | 2.090 | 2.090 |
Rmerge | 0.080 | 0.300 |
Number of reflections | 67587 | |
<I/σ(I)> | 12.27 | 4.1 |
Completeness [%] | 97.1 | 86.9 |
Redundancy | 2.9 | 2.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 200 MM LI2SO4, 100 MM BISTRIS (PH 6.5), 25% W/V PEG 3350, PROTEIN CONCENTRATION: 6.1 MG/ML |