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9BKM

DHODH in complex with Ligand 10

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 date2019-03-12
DetectorDECTRIS PILATUS 6M
Wavelength(s)0.99989
Spacegroup nameP 32 2 1
Unit cell lengths91.018, 91.018, 121.995
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution78.820 - 2.080
R-factor0.19238
Rwork0.191
R-free0.22795
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.014
RMSD bond angle1.739
Data reduction softwareXDS
Data scaling softwareXSCALE
Phasing softwarePHASER
Refinement softwareREFMAC (5.8.0155)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]78.8202.330
High resolution limit [Å]2.0802.080
Rmerge0.0890.498
Rmeas0.0990.554
Number of reflections339198974
<I/σ(I)>13.633.84
Completeness [%]95.188.4
Redundancy5.25.2
CC(1/2)0.9980.937
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION2930.10 M NaAcetat_pH4.8, 2.30 M (NH4)2SO4, 30 % Glycerol, 18% (w/v) PEG 4000, 0.1M Na3Citrate pH=5.75

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