5XGN

Crystal structure of EGFR 696-1022 T790M/C797S in complex with Go6976

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-11-27
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97851
Spacegroup name	P 21 21 21
Unit cell lengths	49.434, 90.509, 164.223
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.688 - 3.000
R-factor	0.2221
Rwork	0.221
R-free	0.25090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2jit
RMSD bond length	0.010
RMSD bond angle	1.234
Data reduction software	DENZO
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.700
High resolution limit [Å]	3.000	3.000
Number of reflections	14896
<I/σ(I)>	16.4
Completeness [%]	97.1
Redundancy	6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	0.2M NaCl, 0.1M Hepes pH7.5, 22% PEG 4000