6LUD

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	95
Detector technology	PIXEL
Collection date	2019-11-01
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.98000
Spacegroup name	I 2 3
Unit cell lengths	143.932, 143.932, 143.932
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.980 - 2.050
R-factor	0.2073
Rwork	0.206
R-free	0.22150
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5em7
Data reduction software	XDS
Data scaling software	autoPROC
Phasing software	DIMPLE
Refinement software	PHENIX (1.17_3644)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	71.966	2.112
High resolution limit [Å]	2.050	2.054
Number of reflections	29220	1470
<I/σ(I)>	27.665
Completeness [%]	94.3
Redundancy	41.23
CC(1/2)	1.000	0.592

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