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8YHR

DHODH in complex with furocoumavirin

This is a non-PDB format compatible entry.
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsPHOTON FACTORY BEAMLINE BL-17A
Synchrotron sitePhoton Factory
BeamlineBL-17A
Temperature [K]100
Detector technologyPIXEL
Collection date2023-11-18
DetectorDECTRIS EIGER X 16M
Wavelength(s)0.980000
Spacegroup nameP 32 2 1
Unit cell lengths90.627, 90.627, 122.181
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution36.395 - 1.700
R-factor0.1465
Rwork0.146
R-free0.16450
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.009
RMSD bond angle1.248
Data reduction softwareXDS
Data scaling softwareAimless
Phasing softwarePHASER
Refinement softwarePHENIX (1.9_1692)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]36.4001.761
High resolution limit [Å]1.7001.700
Rmerge0.073
Number of reflections634195673
<I/σ(I)>17.99
Completeness [%]98.6
Redundancy8.8
CC(1/2)0.9990.875
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP293Sodium acetate (pH 4.8), Ammonium sulfate, Glycerol

221716

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