4ASE
CRYSTAL STRUCTURE OF VEGFR2 (JUXTAMEMBRANE AND KINASE DOMAINS) IN COMPLEX WITH TIVOZANIB (AV-951)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 85 |
| Detector technology | PIXEL |
| Collection date | 2011-10-17 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 135.095, 56.299, 51.991 |
| Unit cell angles | 90.00, 96.33, 90.00 |
Refinement procedure
| Resolution | 43.320 - 1.830 |
| R-factor | 0.207 |
| Rwork | 0.207 |
| R-free | 0.23100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4asd |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.800 |
| Data reduction software | autoPROC |
| Data scaling software | SCALA |
| Phasing software | CNX |
| Refinement software | CNS (2005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.200 | 1.930 |
| High resolution limit [Å] | 1.830 | 1.830 |
| Rmerge | 0.030 | 0.400 |
| Number of reflections | 33988 | |
| <I/σ(I)> | 17.4 | 2.5 |
| Completeness [%] | 99.1 | 99.8 |
| Redundancy | 3.3 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.2 | 286 | CRYSTALS WERE OBTAINED BY THE HANGING DROP VAPOR DIFFUSION METHOD AT 13 DEGREES C BY THE USING PRECIPITANT SOLUTIONS CONTAINING APPROXIMATELY: 0.2M SODIUM CITRATE AND 14-21% (W/V) POLYETHYLENE GLYCOL 3350., pH 6.2 |
