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6IDJ

Crystal structure of human DHODH in complex with ferulenol

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsPHOTON FACTORY BEAMLINE BL-17A
Synchrotron sitePhoton Factory
BeamlineBL-17A
Temperature [K]100
Detector technologyCCD
Collection date2011-03-02
DetectorADSC QUANTUM 315
Wavelength(s)0.98000
Spacegroup nameP 32 2 1
Unit cell lengths90.155, 90.155, 123.334
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution19.890 - 1.900
R-factor0.16334
Rwork0.163
R-free0.17803
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)3w7r
RMSD bond length0.009
RMSD bond angle1.539
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwareMOLREP
Refinement softwareREFMAC (5.8.0103)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0001.930
High resolution limit [Å]1.9001.900
Rmerge0.0810.729
Number of reflections463032316
<I/σ(I)>9.5
Completeness [%]100.0100
Redundancy7.57.6
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP4.9293100 MM SODIUM ACETATE, 1.8-1.9 M AMMONIUM SULPHATE, 40 MM C11DAO, 20.8 MM DDAO, 2 MM DIHYDROOROTATE,

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