3VNT

Crystal Structure of the Kinase domain of Human VEGFR2 with a [1,3]thiazolo[5,4-b]pyridine derivative

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]	100
Detector technology	CCD
Collection date	2010-11-16
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.992
Spacegroup name	C 1 2 1
Unit cell lengths	135.615, 56.618, 51.819
Unit cell angles	90.00, 94.88, 90.00

Refinement procedure

Resolution	37.330 - 1.640
R-factor	0.15346
Rwork	0.151
R-free	0.19203
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.172
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	1.670
High resolution limit [Å]	1.640	4.450	1.640
Rmerge	0.052	0.032	0.786
Number of reflections	46806
<I/σ(I)>	15.4
Completeness [%]	97.2	97.8	95.6
Redundancy	4.1	3.9	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	100mM HEPES, 880-1440mM tri-sodium citrate, pH 7.0-8.0, vapor diffusion, sitting drop, temperature 293K