6JX0

Crystal structure of EGFR 696-1022 T790M in complex with AZD9291 prepared by co-crystallization

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2015-04-20
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97918
Spacegroup name	P 31 2 1
Unit cell lengths	94.464, 94.464, 125.950
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.902 - 2.530
R-factor	0.1931
Rwork	0.192
R-free	0.22170
RMSD bond length	0.013
RMSD bond angle	1.430
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.620
High resolution limit [Å]	2.530	2.530
Rpim	0.043
Number of reflections	22188
<I/σ(I)>	2.03
Completeness [%]	99.8
Redundancy	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	1.3 M Ammonium tartrate dibasic, 0.1 M BIS-TRIS propane pH 7.0