6SD9

Crystal structure of wild-type cMET bound by foretinib

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-07-01
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.976280
Spacegroup name	P 21 21 21
Unit cell lengths	41.880, 73.730, 91.470
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.700 - 2.350
R-factor	0.212
Rwork	0.210
R-free	0.27000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3lq8
RMSD bond length	0.010
RMSD bond angle	1.080
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	BUSTER (2.11.6)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.700	28.700	2.490
High resolution limit [Å]	2.350	6.860	2.350
Rmerge	0.103	0.043	0.436
Rmeas	0.113	0.048	0.486
Number of reflections	12096	555	1672
<I/σ(I)>	13.2	31.32	3.43
Completeness [%]	97.5	98.2	85.7
Redundancy	6.058	5.38	4.79
CC(1/2)	0.997	0.998	0.608

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	15 % 2-propanol, 17 % PEG4K, 0.1 M NaHEPES pH 8