3VO3

Crystal Structure of the Kinase domain of Human VEGFR2 with imidazo[1,2-b]pyridazine derivative

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.3
Synchrotron site	ALS
Beamline	5.0.3
Temperature [K]	100
Detector technology	CCD
Collection date	2006-06-23
Detector	ADSC QUANTUM 210r
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	134.093, 55.770, 51.572
Unit cell angles	90.00, 94.41, 90.00

Refinement procedure

Resolution	39.320 - 1.520
R-factor	0.1619
Rwork	0.161
R-free	0.18210
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.333
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (refmac_5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.570
High resolution limit [Å]	1.520	3.270	1.520
Rmerge	0.042	0.029	0.434
Number of reflections	56337
<I/σ(I)>	17.9
Completeness [%]	96.3	97.2	76.9
Redundancy	3.8	3.9	2.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	0.1M trisHCl pH 8.5, 1.2M tri-sodium citrate, vapor diffusion, sitting drop, temperature 293K