4F8Y
Complex structure of NADPH:quinone oxidoreductase with menadione in Streptococcus mutans
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-6A |
Synchrotron site | Photon Factory |
Beamline | BL-6A |
Detector technology | CCD |
Collection date | 2010-02-06 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97800 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 50.614, 79.413, 106.502 |
Unit cell angles | 90.00, 90.08, 90.00 |
Refinement procedure
Resolution | 19.959 - 1.796 |
R-factor | 0.157 |
Rwork | 0.156 |
R-free | 0.18280 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 1.084 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 50.000 |
High resolution limit [Å] | 1.796 |
Number of reflections | 77264 |
Completeness [%] | 98.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 7.5 | 293 | 0.2M KCl, 0.05M HEPES pH7.5, 35% v/v Pentaerythritol propoxylate(5/4 PO/OH), EVAPORATION, temperature 293K |