9D3V

CRYSTAL STRUCTURE OF EGFR(L858R/T790M/C797S) IN COMPLEX WITH AUR-3418

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-05-07
Detector	DECTRIS EIGER2 S 16M
Wavelength(s)	1.00000
Spacegroup name	I 2 3
Unit cell lengths	145.736, 145.736, 145.736
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	72.870 - 2.320
Rwork	0.299
R-free	0.32900
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PRIME-X

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	103.050	2.360
High resolution limit [Å]	2.320	2.320
Rmerge	0.079	2.997
Rmeas	0.080	3.056
Rpim	0.016	0.596
Number of reflections	22479	1117
<I/σ(I)>	26.49	1.258
Completeness [%]	100.0	100
Redundancy	25.46
CC(1/2)	1.000	0.573

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.7	294	0.96 M SUCCINIC ACID, 1.0 %(W/V) POLYETHYLENE GLYCOL MONOMETHYL ETHER 2000, 0.1 M HEPES