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9BKN

DHODH in complex with Ligand 16

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 date2019-09-16
DetectorDECTRIS EIGER X 16M
Wavelength(s)1
Spacegroup nameP 32 2 1
Unit cell lengths90.744, 90.744, 122.457
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution78.620 - 1.300
R-factor0.12993
Rwork0.129
R-free0.15205
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.015
RMSD bond angle1.750
Data reduction softwareXDS
Data scaling softwareXSCALE
Phasing softwarePHASER
Refinement softwareREFMAC (5.8.0155)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]78.6201.550
High resolution limit [Å]1.3001.300
Rmerge0.0350.490
Rmeas0.0390.539
Number of reflections14293058162
<I/σ(I)>23.213.55
Completeness [%]99.899.9
Redundancy5.75.7
CC(1/2)1.0000.899
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION2930.10 M NaAcetate pH=4.8, 2.0 M (NH4)2SO4, 30 % Glycerol

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