7VRA

The crystal structure of EGFR T790M/C797S with the inhibitor HC5476

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	2020-11-28
Detector	DECTRIS PILATUS 300K
Wavelength(s)	0.987
Spacegroup name	I 2 3
Unit cell lengths	144.973, 144.973, 144.973
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	22.370 - 2.410
R-factor	0.2211
Rwork	0.220
R-free	0.24520
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6jrj
Data reduction software	HKL-3000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.500
High resolution limit [Å]	2.410	2.410
Rpim	0.029	0.479
Number of reflections	19296	19296
<I/σ(I)>	41
Completeness [%]	100.0
Redundancy	19.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.2	293	0.05M CaCl2, 0.1M B-Tris pH 6.2, 24% PEG 550MME, 5mM TCEP