3A4P

human c-MET kinase domain complexed with 6-benzyloxyquinoline inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	95
Detector technology	CCD
Collection date	2007-03-10
Detector	ADSC QUANTUM 315
Wavelength(s)	1.000
Spacegroup name	C 1 2 1
Unit cell lengths	157.227, 42.733, 46.039
Unit cell angles	90.00, 102.91, 90.00

Refinement procedure

Resolution	44.860 - 2.540
Rwork	0.183
R-free	0.24000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB ID 1R1W
RMSD bond length	0.019
RMSD bond angle	1.813
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	76.696	76.700	2.610
High resolution limit [Å]	2.480	11.360	2.540
Rmerge	0.146	0.062	0.650
Total number of observations		401	2597
Number of reflections	10051
<I/σ(I)>		9.4	1.2
Completeness [%]	99.9	99.8	100
Redundancy	3.5	3.1	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	285	14%(w/v) PEG MME 5000, 5%(v/v) isopropanol, 12%(v/v) MPD, 0.1M Tris-Cl, 15%(v/v) Glycerol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 285K