5CNN

Crystal structure of the EGFR kinase domain mutant I682Q

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]	100
Detector technology	CCD
Collection date	2010-07-28
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9999
Spacegroup name	C 1 2 1
Unit cell lengths	155.887, 72.045, 76.774
Unit cell angles	90.00, 113.32, 90.00

Refinement procedure

Resolution	42.510 - 1.900
R-factor	0.1835
Rwork	0.182
R-free	0.21140
Structure solution method	MIR
Starting model (for MR)	3gt8
RMSD bond length	0.007
RMSD bond angle	1.020
Data reduction software	HKL-2000
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (dev_1839)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.510	1.970
High resolution limit [Å]	1.900	1.900
Number of reflections	61664
<I/σ(I)>	8.62	2
Completeness [%]	100.0	100
Redundancy	2	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	293	PEG 6000, morpholineethanesulfonic acid, ammonium chloride