3KEX

Crystal structure of the catalytically inactive kinase domain of the human epidermal growth factor receptor 3 (HER3)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	298
Detector technology	CCD
Collection date	2009-04-05
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	194.164, 47.637, 81.281
Unit cell angles	90.00, 108.04, 90.00

Refinement procedure

Resolution	46.463 - 2.797
R-factor	0.243
Rwork	0.241
R-free	0.28300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	inactive EGFR kinase domain
RMSD bond length	0.004
RMSD bond angle	0.833
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER (2.1.1)
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.900
High resolution limit [Å]	2.800	2.800
Rmerge	0.101	0.553
Number of reflections	17502
<I/σ(I)>	6.9	1.7
Completeness [%]	98.2	93
Redundancy	3.6	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	5mM AMP-PNP, 2mM MgCl2, 1mM DTT, 1mM TCEP, 0.1M Tris pH8.5, 0.2M lithium sulfate, 25% w/v PEG 3350 supplemented with 0.2% w/v 1,2- Diaminocyclohexane sulfate, 0.2% w/v Diloxanite Furoate, 0.2% w/v Fumaric Acid, 0.2% w/v Spermine, 0.2% w/v Sulfaguanidine, 0.02M Hepes sodium pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K