2OIC

Crystal structure of IRAK4 kinase domain complexed with staurosporine

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]	200
Detector technology	CCD
Collection date	2005-08-06
Detector	ADSC QUANTUM 210
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	153.894, 141.321, 88.263
Unit cell angles	90.00, 122.27, 90.00

Refinement procedure

Resolution	48.170 - 2.400
R-factor	0.22567
Rwork	0.223
R-free	0.27810
Structure solution method	DIFFERENCE FOURIER
Starting model (for MR)	2oib
RMSD bond length	0.011
RMSD bond angle	1.762
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.490
High resolution limit [Å]	2.400	2.400
Number of reflections	62496
<I/σ(I)>	16	2.1
Completeness [%]	99.6	96.7
Redundancy	3.7	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	2.3M sodium malonate, 0.1M sodium acetate, 0.01M DTT, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K