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9PSS

IRAK4 in Complex with Compound 3

This is a non-PDB format compatible entry.
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsALS BEAMLINE 5.0.1
Synchrotron siteALS
Beamline5.0.1
Temperature [K]100
Detector technologyPIXEL
Collection date2018-01-25
DetectorDECTRIS PILATUS 6M
Wavelength(s)0.97741
Spacegroup nameI 2 2 2
Unit cell lengths86.630, 109.420, 141.080
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution48.930 - 1.930
R-factor0.2485
Rwork0.247
R-free0.28260
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.013
RMSD bond angle1.169
Data reduction softwareXDS
Data scaling softwareXSCALE
Phasing softwarePHASER
Refinement softwarePHENIX (1.21_5207)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]48.9302.000
High resolution limit [Å]1.9301.930
Rmerge0.1051.082
Rmeas0.1141.196
Rpim0.0440.466
Number of reflections502464832
<I/σ(I)>11.21.78
Completeness [%]99.697.52
Redundancy6.66.4
CC(1/2)0.9990.458
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP5293.15100 mM sodium acetate, 2.0M ammonium sulfate

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