7VRE

The crystal structure of EGFR T790M/C797S with the inhibitor HCD2892

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	2020-11-17
Detector	DECTRIS PILATUS 300K
Wavelength(s)	0.987
Spacegroup name	I 2 3
Unit cell lengths	146.246, 146.246, 146.246
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.853 - 2.507
R-factor	0.2034
Rwork	0.199
R-free	0.24210
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6J6R
Data reduction software	HKL-3000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.590
High resolution limit [Å]	2.500	2.500
Rpim	0.055	0.762
Number of reflections	18001	18001
<I/σ(I)>	16.7
Completeness [%]	100.0
Redundancy	19.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	0.1 M HEPES pH 8.5, 40% PEG 400, 0.15 M NaCl, 5 mM tris(2-carboxyethyl)-phosphine (TCEP)