3U6J

Crystal structure of the VEGFR2 kinase domain in complex with a pyrazolone inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E SUPERBRIGHT
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2007-04-20
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54178
Spacegroup name	P 1 21 1
Unit cell lengths	56.194, 65.268, 57.323
Unit cell angles	90.00, 117.94, 90.00

Refinement procedure

Resolution	50.000 - 2.150
R-factor	0.1956
Rwork	0.193
R-free	0.23030
RMSD bond length	0.007
RMSD bond angle	1.074
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	EPMR
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	30.000	2.230
High resolution limit [Å]	2.150	4.630	2.150
Rmerge	0.105	0.053	0.471
Number of reflections	19876
<I/σ(I)>	9.6
Completeness [%]	99.0	98.4	97.6
Redundancy	3.1	3.2	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	277	17% PEG 5000 monomethyl ether, 75 mM ammonium sulfate, 25 mM sodium chloride, 100 mM HEPES, 8% isopropanol, 40 mM beta-mercaptoethanol, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K