4R81
NAD(P)H:quinone oxidoreductase from Methanothermobacter marburgensis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-03-10 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97625 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 56.998, 94.686, 72.126 |
Unit cell angles | 90.00, 93.34, 90.00 |
Refinement procedure
Resolution | 45.967 - 1.500 |
R-factor | 0.1662 |
Rwork | 0.166 |
R-free | 0.20590 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3lcm |
RMSD bond length | 0.006 |
RMSD bond angle | 1.012 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER ((PHENIX)) |
Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.340 | 1.600 |
High resolution limit [Å] | 1.500 | 1.500 |
Number of reflections | 120455 | |
Completeness [%] | 98.8 | 97.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 298 | 0.2 M NaCl, 0.1 M Bis-Tris, 25% PEG3350, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |