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9NA2

IRAK4 in Complex with Compound 9

This is a non-PDB format compatible entry.
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsALS BEAMLINE 8.2.2
Synchrotron siteALS
Beamline8.2.2
Temperature [K]100
Detector technologyPIXEL
Collection date2023-10-05
DetectorDECTRIS PILATUS 6M
Wavelength(s)1.000
Spacegroup nameI 2 2 2
Unit cell lengths89.980, 117.570, 140.320
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution46.440 - 1.990
R-factor0.2062
Rwork0.205
R-free0.24580
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.012
RMSD bond angle1.150
Data reduction softwareXDS
Data scaling softwareXSCALE
Phasing softwarePHASER
Refinement softwarePHENIX (1.21.2_5419)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]46.4402.020
High resolution limit [Å]1.9901.990
Number of reflections975883387
<I/σ(I)>7.24
Completeness [%]99.2
Redundancy3.4
CC(1/2)0.9970.280
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP293.152.15 M ammonium sulfate, 100 mM Hepes-NaOH at pH 7.0

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