5X2K

Crystal structure of EGFR 696-1022 T790M in complex with WZ4003

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	CMOS
Collection date	2015-11-29
Detector	DECTRIS PILATUS 300K
Wavelength(s)	0.97774
Spacegroup name	I 2 3
Unit cell lengths	149.273, 149.273, 149.273
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.091 - 3.201
R-factor	0.2265
Rwork	0.226
R-free	0.24430
RMSD bond length	0.009
RMSD bond angle	1.082
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	3.200
Number of reflections	8977
<I/σ(I)>	20.5
Completeness [%]	100.0
Redundancy	19.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	0.1M Glycine pH 8.0, 38% PEG 300, 0.1M NaCl, 5mM tris(2-carboxyethyl)-phosphine (TCEP)