2P2I
Crystal structure of the VEGFR2 kinase domain in complex with a nicotinamide inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.2 |
| Synchrotron site | ALS |
| Beamline | 5.0.2 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 55.420, 67.060, 88.510 |
| Unit cell angles | 90.00, 94.51, 90.00 |
Refinement procedure
| Resolution | 36.860 - 2.400 |
| Rwork | 0.222 |
| R-free | 0.26600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.390 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | EPMR (2.4) |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.490 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.098 | 0.415 |
| Number of reflections | 23837 | |
| <I/σ(I)> | 9.6 | 2 |
| Completeness [%] | 94.1 | 87.6 |
| Redundancy | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 277 | pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
