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4QOJ

CRYSTAL STRUCTURE OF FMN QUINONE REDUCTASE 2 IN COMPLEX WITH RESVERATROL AT 1.85A

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSOLEIL BEAMLINE PROXIMA 1
Synchrotron siteSOLEIL
BeamlinePROXIMA 1
Temperature [K]298
Detector technologyPIXEL
Collection date2014-02-11
DetectorPSI PILATUS 6M
Wavelength(s)0.9998
Spacegroup nameP 21 21 21
Unit cell lengths56.960, 83.910, 106.190
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution27.090 - 1.850
R-factor0.1801
Rwork0.179
R-free0.19790
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)2qwx
RMSD bond length0.010
RMSD bond angle0.980
Data reduction softwareXDS
Data scaling softwareXDS
Phasing softwareMOLREP
Refinement softwareBUSTER (2.11.5)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]27.0901.960
High resolution limit [Å]1.8501.850
Number of reflections40334
<I/σ(I)>2.12
Completeness [%]91.384
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP72980.1M HEPEs, 1.4M AmSO4, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 298K

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