8HY7

EGFR kinase domain mutant "TMLR" with compound 28f

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	2023-01-01
Detector	PSI PILATUS 6M
Wavelength(s)	0.979
Spacegroup name	I 2 3
Unit cell lengths	146.200, 146.200, 146.200
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.200 - 2.910
R-factor	0.1976
Rwork	0.195
R-free	0.25050
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond angle	13.977
Data reduction software	autoXDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.200	2.990
High resolution limit [Å]	2.910	2.910
Number of reflections	228940	17271
<I/σ(I)>	15.6
Completeness [%]	100.0
Redundancy	19.8
CC(1/2)	0.998	0.649

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1M HEPES, pH 7.0, 10% (W/V) PEG 10000, 10%(V/V) Ethylene glycol