4XYF

Crystal structure of c-Met in complex with (S)-5-(8-fluoro-3-(1-(3-(2-methoxyethoxy)quinolin-6-yl)ethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-methylisoxazole

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E SUPERBRIGHT
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2010-03-26
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	41.893, 43.406, 157.978
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.000 - 1.850
R-factor	0.1884
Rwork	0.186
R-free	0.23590
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4xmo
RMSD bond length	0.008
RMSD bond angle	1.219
Data reduction software	DENZO
Data scaling software	SCALEPACK (1.98.5)
Phasing software	EPMR
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.920
High resolution limit [Å]	1.850	3.990	1.850
Rmerge	0.054	0.040	0.270
Total number of observations	81489
Number of reflections	20982
<I/σ(I)>	19.6		3.3
Completeness [%]	82.1	95.2	40.2
Redundancy	3.9	4.2	2.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.8	298	13% PEG 4000, 100 mM HEPES, 6% (v/v) isopropanol, 3% (v/v) ethanol, 40 mM beta-mercaptoethanol