2QU5

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Spacegroup name	P 21 21 2
Unit cell lengths	66.852, 143.828, 58.483
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.950
Rwork	0.213
R-free	0.25100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2p2i
RMSD bond length	0.007
RMSD bond angle	1.380
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	EPMR (2.4)
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	3.060
High resolution limit [Å]	2.950	2.950
Rmerge	0.081	0.470
Number of reflections	12783
<I/σ(I)>	23.9	4.1
Completeness [%]	99.9	100
Redundancy	7.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.2	277	PEG 4000, lithum sulfate, Tris, pH 8.2, VAPOR DIFFUSION, HANGING DROP, temperature 277K