3VHK

Crystal structure of the VEGFR2 kinase domain in complex with a back pocket binder

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL32B2
Synchrotron site	SPring-8
Beamline	BL32B2
Temperature [K]	100
Detector technology	CCD
Collection date	2007-10-11
Detector	RIGAKU JUPITER 210
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	135.719, 56.354, 51.875
Unit cell angles	90.00, 95.61, 90.00

Refinement procedure

Resolution	37.350 - 2.490
R-factor	0.2096
Rwork	0.207
R-free	0.26210
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.923
Data reduction software	d*TREK (8.0SSI)
Data scaling software	d*TREK (8.0SSI)
Phasing software	MOLREP
Refinement software	REFMAC (refmac_5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	67.570	37.350	2.580
High resolution limit [Å]	2.490	5.370	2.490
Rmerge	0.069	0.034	0.377
Total number of observations		5187	4742
Number of reflections	13639
<I/σ(I)>	11.4	30.5	3.1
Completeness [%]	98.9	96.5	93.7
Redundancy	3.73	3.54	3.68

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	100mM HEPES, 880-1440mM tri-sodium citrate, pH 7.0-8.0, vapor diffusion, sitting drop, temperature 293K