7A6J

Crystal Structure of EGFR-T790M/V948R in Complex with Poziotinib

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	2018-09-24
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9150
Spacegroup name	P 21 21 21
Unit cell lengths	76.330, 81.760, 89.850
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.920 - 2.000
R-factor	0.1915
Rwork	0.190
R-free	0.21590
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6s8a
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.20_4459)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.920	2.100
High resolution limit [Å]	2.000	2.000
Rmeas	0.089	1.441
Number of reflections	38568	5173
<I/σ(I)>	18.78	1.8
Completeness [%]	99.8	99.9
Redundancy	13.06	12.49
CC(1/2)	0.999	0.838

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	20.0 % PEG3350, 100 mM MgSO4, 4 % ethylen glycole, 7.5 mg/mL EGFR-T790M/V948R (in 100 mM NaCl, 25 mM Tris-HCl, 10 % glycerol, 1 mM TCEP, pH 8.0) 1 ul reservoir + 1 ul protein solution)