3C7Q
Structure of VEGFR2 kinase domain in complex with BIBF1120
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-12-15 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.9799 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 38.250, 94.440, 96.220 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.540 - 2.100 |
| R-factor | 0.221 |
| Rwork | 0.217 |
| R-free | 0.27900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1vr2 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.633 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.100 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.087 | 0.559 |
| Number of reflections | 23933 | 2948 |
| <I/σ(I)> | 9.91 | 2 |
| Completeness [%] | 98.4 | 91.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 277 | 0.1M HEPES, 2.1M Ammonium Sulphate, 3% PEG MME 550, 10mM Beta-Mercaptoethanol, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
