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9DHG

DHODH in complex with Compound 5

This is a non-PDB format compatible entry.
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSLS BEAMLINE X10SA
Synchrotron siteSLS
BeamlineX10SA
Temperature [K]100
Detector technologyPIXEL
Collection date2021-01-28
DetectorDECTRIS EIGER2 S 16M
Wavelength(s)0.9999
Spacegroup nameP 32 2 1
Unit cell lengths90.815, 90.815, 122.859
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution78.650 - 1.386
R-factor0.11853
Rwork0.117
R-free0.13911
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.011
RMSD bond angle1.677
Data reduction softwareautoPROC (1.1.7)
Data scaling softwareautoPROC ((Version 1.1.7)
Refinement softwareREFMAC (5.8.0258)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]78.6501.410
High resolution limit [Å]1.3861.386
Rmerge0.0982.271
Rmeas0.1022.367
Rpim0.0290.665
Number of reflections1188985874
<I/σ(I)>14.11.3
Completeness [%]100.0100
Redundancy12.412.65
CC(1/2)0.9990.563
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION2930.10 M NaAc pH4.8, 2.0 M (NH4)2SO4, 30 % (v/v) Glycerol

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