7ER2

Crystal structure of EGFR 696-1022 T790M/C797S in complex with LS_2_40

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-07-18
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.988
Spacegroup name	I 2 3
Unit cell lengths	145.926, 145.926, 145.926
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.618 - 2.662
R-factor	0.1995
Rwork	0.195
R-free	0.24170
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5zto
RMSD bond length	0.008
RMSD bond angle	1.024
Data reduction software	HKL-3000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.740
High resolution limit [Å]	2.650	2.650
Rpim	0.056	0.541
Number of reflections	14931	14931
<I/σ(I)>	21
Completeness [%]	100.0
Redundancy	36.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	38% PEG 300, 150 mM KCl, 0.1 M HEPES (pH 8.0)