8A2D

EGFR kinase domain (L858R/V948R) in complex with 2-[4-(difluoromethyl)-6-[2-[4-[[4-(hydroxymethyl)-1-piperidyl]methyl]phenyl]ethynyl]-7-methyl-indazol-2-yl]-2-spiro[6,7-dihydropyrrolo[1,2-c]imidazole-5,1'-cyclopropane]-1-yl-N-thiazol-2-yl-acetamide

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	2020-09-12
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9999
Spacegroup name	C 1 2 1
Unit cell lengths	119.619, 34.951, 83.934
Unit cell angles	90.00, 128.81, 90.00

Refinement procedure

Resolution	65.400 - 1.110
R-factor	0.164
Rwork	0.163
R-free	0.17880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8a27
RMSD bond length	0.021
RMSD bond angle	2.278
Data reduction software	XDS
Data scaling software	STARANISO
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	65.400	1.160
High resolution limit [Å]	1.110	1.120
Number of reflections	90192	4748
<I/σ(I)>	11.2
Completeness [%]	90.3
Redundancy	3.6
CC(1/2)	1.000	0.670

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	20% PEG Smear High, 0.1M MES