6JRX

EGFR T790M/C797S in complex with compound 6i

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	2018-01-07
Detector	DECTRIS PILATUS 300K
Wavelength(s)	0.97853
Spacegroup name	I 2 3
Unit cell lengths	144.824, 144.824, 144.824
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.137 - 2.201
R-factor	0.211
Rwork	0.209
R-free	0.23920
RMSD bond length	0.009
RMSD bond angle	1.064
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.300
High resolution limit [Å]	2.200	2.200
Number of reflections	25643
<I/σ(I)>	37.5
Completeness [%]	100.0
Redundancy	20

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	0.1 M HEPES pH8.5, 40% PEG400, 0.15 M NaCl, 5 mM tris(2-carboxyethyl)-phosphine (TCEP)