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4FGJ

Oxidized quinone reductase 2 in complex with primaquine

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsCLSI BEAMLINE 08B1-1
Synchrotron siteCLSI
Beamline08B1-1
Temperature [K]100
Detector technologyCCD
Collection date2011-05-18
DetectorRAYONIX MX300HE
Wavelength(s)1.033217
Spacegroup nameP 21 21 21
Unit cell lengths56.500, 83.000, 106.490
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution30.057 - 1.346
R-factor0.1417
Rwork0.141
R-free0.16660
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.008
RMSD bond angle1.255
Data reduction softwareMOSFLM
Data scaling softwareSCALA (3.3.16)
Phasing softwarePHASER (2.4.0)
Refinement softwarePHENIX (1.7.3_928)
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]30.05730.0571.420
High resolution limit [Å]1.3464.2601.350
Rmerge0.0660.0310.630
Total number of observations1748976359
Number of reflections110793
<I/σ(I)>10.419.11.2
Completeness [%]99.598.598.8
Redundancy4.84.74.8
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP72981.7M Ammonium sulfate, 0.1M Hepes pH 7.0, vapor diffusion, hanging drop, temperature 298K

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