5XDK

Crystal structure of EGFR 696-1022 T790M in complex with CO-1686

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	CCD
Collection date	2015-06-28
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97861
Spacegroup name	I 2 3
Unit cell lengths	145.471, 145.471, 145.471
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.994 - 2.346
R-factor	0.2186
Rwork	0.217
R-free	0.24820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2jit
RMSD bond length	0.013
RMSD bond angle	1.304
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	2.430
High resolution limit [Å]	2.346	2.350
Number of reflections	20894
<I/σ(I)>	27.6
Completeness [%]	96.9
Redundancy	16.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	0.07 M HEPES pH7.5, 0.9 M tri-sodium citrate, 5 mM TCEP.