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 |