3CJG
Crystal structure of VEGFR2 in complex with a 3,4,5-trimethoxy aniline containing pyrimidine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2000-03-01 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 37.700, 95.540, 97.010 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.950 - 2.250 |
| R-factor | 0.20875 |
| Rwork | 0.207 |
| R-free | 0.25316 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Unliganded Vegfr2 kinase domain solved in house - similar to pdb entry 1VR2 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.277 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.330 |
| High resolution limit [Å] | 2.250 | 2.250 |
| Rmerge | 0.046 | 0.401 |
| Number of reflections | 16998 | |
| <I/σ(I)> | 40 | 2.76 |
| Completeness [%] | 99.3 | 95 |
| Redundancy | 6.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | VAPOR DIFFUSION, HANGING DROP |
