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9R9J

IRAK4 in complex with inhibitor

This is a non-PDB format compatible entry.
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE ID30B
Synchrotron siteESRF
BeamlineID30B
Temperature [K]100
Detector technologyPIXEL
Collection date2017-07-07
DetectorDECTRIS EIGER2 X 9M
Wavelength(s)0.976
Spacegroup nameC 1 2 1
Unit cell lengths143.290, 140.240, 88.800
Unit cell angles90.00, 124.06, 90.00
Refinement procedure
Resolution90.000 - 2.390
R-factor0.223
Rwork0.221
R-free0.26300
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.010
RMSD bond angle1.190
Data reduction softwareXDS
Data scaling softwareAimless
Phasing softwarePHASER
Refinement softwareBUSTER (2.11.7)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]90.6002.430
High resolution limit [Å]2.3902.390
Rmerge0.0590.494
Number of reflections569002862
<I/σ(I)>11.92.2
Completeness [%]99.999.9
Redundancy4.24.2
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP2982.5 M AMS 0.1 M Hepes pH 6.9-7.7

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