4R1V
Identification and optimization of pyridazinones as potent and selective c-Met kinase inhibitors
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-05-24 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 38.000, 43.038, 84.844 |
| Unit cell angles | 90.00, 92.23, 90.00 |
Refinement procedure
| Resolution | 84.820 - 1.200 |
| R-factor | 0.146 |
| Rwork | 0.146 |
| R-free | 0.17600 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.393 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASES |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 84.820 | 1.230 |
| High resolution limit [Å] | 1.200 | 1.200 |
| Rmerge | 0.038 | 0.410 |
| Number of reflections | 85595 | |
| Completeness [%] | 97.3 | 72.3 |
| Redundancy | 3.8 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 298 | PEG 8000, pH 6.5, VAPOR DIFFUSION, temperature 298K |
