5HG5

EGFR (L858R, T790M, V948R) in complex with N-{3-[(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl}prop-2-enamide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	98
Detector technology	PIXEL
Collection date	2012-06-20
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	40.321, 70.002, 111.114
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	59.230 - 1.520
R-factor	0.206
Rwork	0.205
R-free	0.22400
RMSD bond length	0.004
RMSD bond angle	0.800
Data scaling software	SCALA
Refinement software	CNX (2005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	59.230	1.610
High resolution limit [Å]	1.520	1.520
Rmerge		0.502
Number of reflections	49014
<I/σ(I)>	17.9	2.9
Completeness [%]	99.9	100
Redundancy	6.4	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		286	0.1 M (5.0 uL of stock 1.0 M) Sodium acetate trihydrate (pH 7.50), 20.0 %w/v (20.0 uL of stock 50.0 %w/v) PEG 8000, 10.0 %v/v (5.0 uL of stock 100.0 %v/v) iso-propanol, 0.2 M (2.8571428571 uL of stock 3.5 M) Ammonium sulfate