3ZBX

X-ray Structure of c-Met kinase in complex with inhibitor 6-((6-(4- fluorophenyl)-(1,2,4)triazolo(4,3-b)(1,2,4)triazin-3-yl)methyl) quinoline.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	96
Detector technology	CCD
Collection date	2005-02-26
Detector	ADSC CCD
Spacegroup name	P 21 21 2
Unit cell lengths	76.857, 94.127, 46.418
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.060 - 2.200
R-factor	0.179
Rwork	0.179
R-free	0.23700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2wgj
RMSD bond length	0.005
RMSD bond angle	0.800
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	CCP4
Refinement software	CNS (2005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.070	0.280
Number of reflections	15108
<I/σ(I)>	13.1	3.5
Completeness [%]	84.9	81.2
Redundancy	2.8	2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.2	286	C-MET COCRYSTALS WERE OBTAINED AT 13 DEGREES C BY THE HANGING DROP VAPOR DIFFUSION METHOD BY MIXING 1.2 MICROLITERS OF PROTEIN SOLUTION (CONTAINING 7-13 MG/ML C-MET KD (RESIDUES 1051-1348) WITH A 5 FOLD MOLAR EXCESS OF C-MET INHIBITOR COMPOUND) WITH 1.2 MICROLITERS OF SOLUTION CONTAINING (0.05M CITRATE-PHOSPHATE PH 4.2, 200M NACL, AND 17.4% POLYETHYLENE GLYCOL MW=3350)