5XDL

Crystal structure of EGFR 696-1022 L858R in complex with CO-1686

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2014-04-06
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97913
Spacegroup name	I 2 3
Unit cell lengths	143.543, 143.543, 143.543
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.363 - 2.700
R-factor	0.2116
Rwork	0.209
R-free	0.25580
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2itv
RMSD bond length	0.011
RMSD bond angle	1.125
Data reduction software	DENZO
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX ((dev_2400))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.910
High resolution limit [Å]	2.700	2.700
Number of reflections	13462
<I/σ(I)>	25.98
Completeness [%]	98.3
Redundancy	7.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.8	293	0.1 M HEPES pH 7.8, 40% PEG 400, 0.15 M NaCl, 5 mM tris(2-carboxyethyl)-phosphine (TCEP)