5EM8

EGFR kinase domain with pyridone compound 13: 4-[(2-methoxyphenyl)amino]-~{N}-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxidanylidene-1~{H}-pyridine-3-carboxamide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	110
Detector technology	CCD
Collection date	2012-04-12
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.000
Spacegroup name	I 2 3
Unit cell lengths	147.661, 147.661, 147.661
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.690 - 2.800
R-factor	0.191
Rwork	0.189
R-free	0.22900
RMSD bond length	0.010
RMSD bond angle	1.100
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	BUSTER (2.11.5)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.700	2.900
High resolution limit [Å]	2.800	2.800
Rmerge		0.588
Number of reflections	13327
<I/σ(I)>	43.2	5
Completeness [%]	100.0	100
Redundancy	12.9	13.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	292	sodium/potassium tartrate