5EYC

Crystal structure of c-Met in complex with naphthyridinone inhibitor 5

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	2011-06-07
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	42.073, 43.267, 158.020
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.740 - 1.800
R-factor	0.1946
Rwork	0.192
R-free	0.24720
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4xmo
RMSD bond length	0.008
RMSD bond angle	1.156
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	AMoRE
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.860
High resolution limit [Å]	1.800	3.880	1.800
Rmerge	0.034	0.023	0.325
Total number of observations	65999
Number of reflections	22824
<I/σ(I)>	24.5		3.686
Completeness [%]	82.4	93.8	37.7
Redundancy	2.9	3.8	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.8	293	12% PEG 4000, 3% (v/v) ethanol, 6% (v/v) isopropanol, 40 mM beta-mercaptoethanol, 100 mM HEPES (pH 7.8)