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9BKO

DHODH in complex with Ligand 26

This is a non-PDB format compatible entry.
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSLS BEAMLINE X06SA
Synchrotron siteSLS
BeamlineX06SA
Temperature [K]100
Detector technologyPIXEL
Collection date2019-09-23
DetectorDECTRIS EIGER X 16M
Wavelength(s)1
Spacegroup nameP 32 2 1
Unit cell lengths90.781, 90.781, 122.616
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution78.620 - 1.440
R-factor0.14351
Rwork0.142
R-free0.17007
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.013
RMSD bond angle1.667
Data reduction softwareXDS
Data scaling softwareXSCALE
Phasing softwarePHASER
Refinement softwareREFMAC (5.8.0155)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]78.6201.690
High resolution limit [Å]1.4401.440
Rmerge0.0350.483
Rmeas0.0410.567
Number of reflections10408839885
<I/σ(I)>17.772.8
Completeness [%]98.399.7
Redundancy3.63.6
CC(1/2)0.9990.839
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION2930.10 M NaAcetate pH 4.8, 2.0 M (NH4)2SO4, 30 % Glycerol

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