6RFJ

IRAK4 IN COMPLEX WITH inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-04-04
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.00001
Spacegroup name	I 2 2 2
Unit cell lengths	87.607, 118.925, 140.507
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.340 - 2.610
R-factor	0.245
Rwork	0.245
R-free	0.25400
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.210
Data reduction software	XDS
Data scaling software	Aimless
Refinement software	BUSTER (2.11.6 PACIOREK)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	74.340	2.760
High resolution limit [Å]	2.610	2.610
Rmerge	0.091
Number of reflections	22141	0
<I/σ(I)>	16.8	2.2
Completeness [%]	98.0	86.7
Redundancy	10.5	9.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	pH7.5