5YA5

CRYSTAL STRUCTURE OF c-MET IN COMPLEX WITH NOVEL INHIBITOR

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2013-05-15
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9791
Spacegroup name	P 21 21 21
Unit cell lengths	42.360, 47.340, 158.690
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.927 - 1.890
R-factor	0.2121
Rwork	0.211
R-free	0.23490
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4gg5
RMSD bond length	0.007
RMSD bond angle	1.095
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8_1069))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.927	40.927	1.940
High resolution limit [Å]	1.890	8.450	1.890
Rmerge	0.046	0.026	0.388
Rmeas	0.053	0.031	0.453
Total number of observations	187189
Number of reflections	49233	468	3657
<I/σ(I)>	17.33	35.51	3.49
Completeness [%]	99.7	84.9	100
Redundancy	3.802	3.314	3.815
CC(1/2)	0.998	0.998	0.862

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	0.1M Tris pH7.5, 15% glycerol, 12% MPD, 5% isopropanol, 15% PEG5Kmme