3ZXZ

X-ray Structure of PF-04217903 bound to the kinase domain of c-Met

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	87
Detector technology	CCD
Collection date	2006-10-06
Detector	ADSC CCD
Spacegroup name	P 21 21 2
Unit cell lengths	76.740, 94.125, 46.138
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.430 - 1.800
R-factor	0.185
Rwork	0.185
R-free	0.22100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2wgj
RMSD bond length	0.004
RMSD bond angle	0.800
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	CCP4
Refinement software	CNS (2005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.080	0.250
Number of reflections	27447
<I/σ(I)>	11.1	3.27
Completeness [%]	85.3	37.2
Redundancy	4.2	2.5

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 PF-04217903) 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).