2WKM

X-ray Structure of PHA-00665752 bound to the kinase domain of c-Met

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	85
Detector technology	CCD
Collection date	2006-09-20
Detector	ADSC CCD
Spacegroup name	P 21 21 2
Unit cell lengths	77.435, 95.787, 45.601
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	200.000 - 2.200
R-factor	0.2183
Rwork	0.218
R-free	0.27540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2wgj
RMSD bond length	0.006
RMSD bond angle	0.900
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CCP4
Refinement software	CNS (2005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.150
High resolution limit [Å]	2.100	2.100
Rmerge	0.070	0.410
Number of reflections	19501
<I/σ(I)>	37.2	4
Completeness [%]	95.8	78
Redundancy	3.6	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	286	CRYSTALS WERE OBTAINED AT 13 DEGREES C BY THE HANGING DROP VAPOR DIFFUSION METHOD USING 1.2 MICROLITERS OF PROTEIN SOLUTION (CONTAINING 7-13 MG/ML C-MET KD PLUS A 5 FOLD MOLAR EXCESS OF PHA-00665752) AND 1.2 MICROLITERS OF MOTHER LIQUOR SOLUTION (0.05 M CITRATE-PHOSHPHATE 4.6, 0-0.275 M NACL, AND 21% W/V PEG 3350).