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4F8Y

Complex structure of NADPH:quinone oxidoreductase with menadione in Streptococcus mutans

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsPHOTON FACTORY BEAMLINE BL-6A
Synchrotron sitePhoton Factory
BeamlineBL-6A
Detector technologyCCD
Collection date2010-02-06
DetectorADSC QUANTUM 315r
Wavelength(s)0.97800
Spacegroup nameP 1 21 1
Unit cell lengths50.614, 79.413, 106.502
Unit cell angles90.00, 90.08, 90.00
Refinement procedure
Resolution19.959 - 1.796
R-factor0.157
Rwork0.156
R-free0.18280
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.006
RMSD bond angle1.084
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Refinement softwarePHENIX ((phenix.refine))
Data quality characteristics
 Overall
Low resolution limit [Å]50.000
High resolution limit [Å]1.796
Number of reflections77264
Completeness [%]98.6
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1EVAPORATION7.52930.2M KCl, 0.05M HEPES pH7.5, 35% v/v Pentaerythritol propoxylate(5/4 PO/OH), EVAPORATION, temperature 293K

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