5ZTO

Crystal structure of EGFR 696-1022 T790M/C797S in complex with D3003

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	2017-06-19
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97774
Spacegroup name	I 2 3
Unit cell lengths	148.731, 148.731, 148.731
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.033 - 2.649
R-factor	0.2335
Rwork	0.231
R-free	0.27240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2itv
RMSD bond length	0.011
RMSD bond angle	1.120
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.710
High resolution limit [Å]	2.649	2.649
Rmerge	0.127	0.353
Number of reflections	16088
<I/σ(I)>	6
Completeness [%]	100.0
Redundancy	18

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	298	0.05M HEPES pH 8.0, 0.2M ZnSO4, 25% PEG 600