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 |
