4GG7

Crystal structure of cMET in complex with novel inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2012-03-22
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9791
Spacegroup name	P 41 21 2
Unit cell lengths	65.867, 65.867, 187.176
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.147 - 2.270
R-factor	0.2101
Rwork	0.204
R-free	0.26240
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.134
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.8_1069)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	38.150		2.330
High resolution limit [Å]	2.270	10.150	2.270
Rmerge	0.175	0.052	0.734
Number of reflections	19514	374	2662
<I/σ(I)>	11.71	21.41	3.34
Completeness [%]	99.8	90.1	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	0.1M Tris-HCl, 15% glycerol, 12% MPD, 5% isopropanol, 14% PEG5000, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K