5GTY

Crystal structure of EGFR 696-1022 T790M in complex with LXX-6-26

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	2016-01-10
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97776
Spacegroup name	P 1 21 1
Unit cell lengths	117.427, 71.796, 152.530
Unit cell angles	90.00, 103.53, 90.00

Refinement procedure

Resolution	49.810 - 3.140
R-factor	0.2578
Rwork	0.257
R-free	0.27950
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2jit
RMSD bond length	0.010
RMSD bond angle	1.342
Data reduction software	DENZO
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX ((dev_2400))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.260
High resolution limit [Å]	3.150	3.150
Number of reflections	42443
<I/σ(I)>	6.14
Completeness [%]	98.2
Redundancy	5.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.2	293	0.05M CaCl2, 0.1M B-Tris pH 6.2, 24% PEG 550MME, 5mM TCEP