2GS7

Crystal Structure of the inactive EGFR kinase domain in complex with AMP-PNP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	CCD
Collection date	2006-04-12
Detector	ADSC QUANTUM 4
Wavelength(s)	1.1159
Spacegroup name	P 1 21 1
Unit cell lengths	64.601, 85.253, 78.327
Unit cell angles	90.00, 96.36, 90.00

Refinement procedure

Resolution	50.000 - 2.600
R-factor	0.258
Rwork	0.233
R-free	0.29800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1xkk
RMSD bond length	0.007
RMSD bond angle	1.372
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	24965
<I/σ(I)>	12.8	3.3
Completeness [%]	94.9	80.1
Redundancy	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8.5	293	20% PEG3350, 0.2 M NaI, 100 mM Bis-Tris Propane, pH 8.5, VAPOR DIFFUSION, temperature 293K