9BY6

Crystal structure of the kinase domain of EGFR soaked with non-covalent osimertinib

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-02-13
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	I 2 3
Unit cell lengths	145.916, 145.916, 145.916
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	51.589 - 2.551
R-factor	0.2079
Rwork	0.206
R-free	0.24520
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	51.590	2.800
High resolution limit [Å]	2.550	2.550
Number of reflections	16995	2807
<I/σ(I)>	16
Completeness [%]	100.0
Redundancy	6.7
CC(1/2)	0.996	0.320

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	285.15	100 mM HEPES, pH 7.0, 0.6-0.9 Na-K tartrate