6LUB

Crystal Structure of EGFR(L858R/T790M/C797S) in complex with CH7233163

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL45XU
Synchrotron site	SPring-8
Beamline	BL45XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-06-19
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.00000
Spacegroup name	I 2 3
Unit cell lengths	144.299, 144.299, 144.299
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	72.150 - 2.315
R-factor	0.1874
Rwork	0.186
R-free	0.22550
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5em7
Data reduction software	XDS
Phasing software	DIMPLE
Refinement software	PHENIX (1.17_3644)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	72.150	72.150	2.385
High resolution limit [Å]	2.315	6.519	2.315
Rmerge	0.152
Rmeas	0.156
Rpim	0.035
Number of reflections	21099	1054	1058
<I/σ(I)>	17.621
Completeness [%]	96.3	100	57.44
Redundancy	19.89	18.14	21.47
CC(1/2)	0.999	1.000	0.482

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7	294	1.0 M Succinic Acid, 1.0 %(w/v) Polyethylene glycol monomethyl ether 2000, 0.1 M HEPES