3BE2
Crystal structure of the VEGFR2 kinase domain in complex with a benzamide inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.2 |
Synchrotron site | ALS |
Beamline | 5.0.2 |
Detector technology | CCD |
Detector | ADSC QUANTUM 315 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 41.770, 84.380, 47.570 |
Unit cell angles | 90.00, 100.09, 90.00 |
Refinement procedure
Resolution | 35.000 - 1.750 |
Rwork | 0.197 |
R-free | 0.22600 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.007 |
RMSD bond angle | 1.340 |
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] | 35.000 | 1.800 |
High resolution limit [Å] | 1.750 | 1.750 |
Rmerge | 0.028 | 0.167 |
Number of reflections | 29914 | |
<I/σ(I)> | 30.9 | 9.5 |
Completeness [%] | 91.1 | 82.6 |
Redundancy | 2 | 1.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 8 | 277 | PEG 5000 MME, HEPES, sodium chloride, ammonium sulfate, isopropanol, beta-mercaptoethanol, pH 8.0, VAPOR DIFFUSION, temperature 277K |