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 |
