6EGF

Crystal structure of the inactive unphosphorylated IRAK4 kinase domain bound to AMP-PNP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-11-15
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.98
Spacegroup name	P 63 2 2
Unit cell lengths	135.195, 135.195, 126.400
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	85.895 - 2.610
R-factor	0.206
Rwork	0.205
R-free	0.22920
RMSD bond length	0.001
RMSD bond angle	0.437
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	85.895	2.700
High resolution limit [Å]	2.610	2.610
Rmerge	0.073	1.730
Number of reflections	21291	2079
<I/σ(I)>	26.3	2.09
Completeness [%]	99.8	99.38
Redundancy	19	19.4
CC(1/2)	1.000	0.760

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293.15	1.6-1.9 M ammonium sulfate, 100 mM Hepes-NaOH at pH7