8WD4

EGFR(L858R/T790/C797S) in complex with compound 5j

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	2018-11-01
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	1
Spacegroup name	I 2 3
Unit cell lengths	145.327, 145.327, 145.327
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.960 - 2.550
R-factor	0.2005
Rwork	0.199
R-free	0.22970
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.522
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.960	2.700
High resolution limit [Å]	2.550	2.550
Rmeas	0.061	0.885
Number of reflections	16233	2624
<I/σ(I)>	17.62	1.6
Completeness [%]	96.5	97.3
Redundancy	3
CC(1/2)	0.998	0.535

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		297	0.46 M Trisodium citrate, pH 7.0