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8W3X

Crystal structure of IRAK4 in complex with compound 6

This is a non-PDB format compatible entry.
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 17-ID
Synchrotron siteAPS
Beamline17-ID
Temperature [K]173
Detector technologyPIXEL
Collection date2023-05-03
DetectorDECTRIS PILATUS 2M
Wavelength(s)1.0
Spacegroup nameC 1 2 1
Unit cell lengths142.610, 140.110, 87.840
Unit cell angles90.00, 124.67, 90.00
Refinement procedure
Resolution48.940 - 1.765
R-factor0.1912
Rwork0.190
R-free0.21240
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.009
RMSD bond angle0.970
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwareBUSTER
Refinement softwareBUSTER (2.11.8 (22-FEB-2023))
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]48.9401.800
High resolution limit [Å]1.7651.765
Number of reflections1277424207
<I/σ(I)>12.2
Completeness [%]95.1
Redundancy3.4
CC(1/2)0.9990.591
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP295AMMONIUM CITRATE

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