4XMO

Crystal structure of c-Met in complex with (R)-5-(8-fluoro-3-(1-fluoro-1-(3-methoxyquinolin-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]	103
Detector technology	IMAGE PLATE
Collection date	2010-03-25
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	41.951, 43.395, 157.974
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.750
R-factor	0.1891
Rwork	0.186
R-free	0.23830
RMSD bond length	0.007
RMSD bond angle	1.142
Data reduction software	DENZO
Data scaling software	SCALEPACK (1.98.5)
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.810
High resolution limit [Å]	1.750	3.770	1.750
Rmerge	0.033	0.024	0.230
Total number of observations	101372
Number of reflections	25661
<I/σ(I)>	32.1
Completeness [%]	85.3	98.1	36.2
Redundancy	4	4.4	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.8	298	12% PEG 4000, 100 mM HEPES, pH 7.8, 6% isopropanol, 3% ethanol, 40 mM beta-mercaptoethanol