4DEG

Crystal structure of c-Met in complex with triazolopyridazine inhibitor 2

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	2007-03-26
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	42.042, 43.012, 157.954
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	22.450 - 2.000
R-factor	0.2086
Rwork	0.206
R-free	0.25360
Structure solution method	Difference Fourier
RMSD bond length	0.008
RMSD bond angle	1.060
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.070
High resolution limit [Å]	2.000	4.310	2.000
Rmerge	0.054	0.040	0.186
Number of reflections	19545
<I/σ(I)>	28.8
Completeness [%]	96.6	97.4	93.5
Redundancy	5.6	6	4.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.8	293	15% PEG 4000, 0.1 M HEPES, 6% isopropanol, 3% ethanol, 40 mM beta-mercaptoethanol, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K