2O8Y

Apo IRAK4 Kinase Domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.3
Synchrotron site	ALS
Beamline	5.0.3
Temperature [K]	100
Wavelength(s)	0.979
Spacegroup name	I 2 2 2
Unit cell lengths	90.150, 118.640, 140.710
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.000 - 2.400
R-factor	0.244
Rwork	0.244
R-free	0.28900
Structure solution method	SAD
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SHELXS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.500
High resolution limit [Å]	2.400	2.400
Rmerge	0.091	0.466
Number of reflections	29503
<I/σ(I)>	7.8	1.9
Completeness [%]	98.2	85.4
Redundancy	7	4.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	1 uL protein(14.5 mg/mL in 50 mM Tris-HCl pH 7.6, 250 mM NaCl, 250 mM TCEP, and 100 mM EDTA supplemented with 2 mM ADP and 4 mM MgCl2 prior to crystallization) and 1 uL of reservoir solution (100 mM HEPES pH 7.5, 20-25% PEG 3350, 200 mM ammonium sulfate), VAPOR DIFFUSION, HANGING DROP, temperature 293K