2GS6

Crystal Structure of the active EGFR kinase domain in complex with an ATP analog-peptide conjugate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2004-11-30
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0
Spacegroup name	I 2 3
Unit cell lengths	144.182, 144.182, 144.182
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.600
R-factor	0.234
Rwork	0.206
R-free	0.25700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1m14
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.700
High resolution limit [Å]	2.600	2.600
Number of reflections	15419
<I/σ(I)>	28.5	5.6
Completeness [%]	99.6	96.5
Redundancy	8.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	293	18% PEG3350, 0.2 M LiCitrate, 4% Polypropropylene Glycol, 100 mM HEPES, pH 7.5, VAPOR DIFFUSION, temperature 293K