4AGD
CRYSTAL STRUCTURE OF VEGFR2 (JUXTAMEMBRANE AND KINASE DOMAINS) IN COMPLEX WITH SUNITINIB (SU11248) (N-2-diethylaminoethyl)-5-((Z)-(5- fluoro-2-oxo-1H-indol-3-ylidene)methyl)-2,4-dimethyl-1H-pyrrole-3- carboxamide)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-D |
| Synchrotron site | APS |
| Beamline | 21-ID-D |
| Temperature [K] | 87 |
| Detector technology | IMAGE PLATE |
| Collection date | 2008-12-01 |
| Detector | MARRESEARCH |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 134.694, 56.980, 52.720 |
| Unit cell angles | 90.00, 94.34, 90.00 |
Refinement procedure
| Resolution | 37.690 - 2.810 |
| R-factor | 0.21 |
| Rwork | 0.210 |
| R-free | 0.30700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4agc |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.000 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CCP4 |
| Refinement software | CNS (2005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.900 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.060 | 0.230 |
| Number of reflections | 9095 | |
| <I/σ(I)> | 19.5 | 2.2 |
| Completeness [%] | 92.4 | 55.7 |
| Redundancy | 3.4 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.2 | 286 | CRYSTALS WERE GROWN AT 13 DEGREES C BY THE HANGING DROP VAPOR DIFFUSION METHOD USING PRECIPITANT SOLUTIONS CONTAINING: 0.222 M SODIUM CITRATE (PH 6.3) AND 17% (W/V) POLYETHYLENE GLYCOL 3350 |
