2QU6
Crystal structure of the VEGFR2 kinase domain in complex with a benzoxazole 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 1 21 1 |
Unit cell lengths | 55.370, 67.370, 89.620 |
Unit cell angles | 90.00, 92.98, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.100 |
Rwork | 0.242 |
R-free | 0.27200 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.520 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.030 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.053 | 0.418 |
Number of reflections | 44127 | |
<I/σ(I)> | 2.3 | |
Completeness [%] | 98.8 | 93.1 |
Redundancy | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 277 | PEG 5000 MME, ammonium sulfate, sodium chloride, HEPES, isopropanol, beta-mercaptoethanol, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |