4R1Y
Identification and optimization of pyridazinones as potent and selective c-Met kinase inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-01-14 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 38.157, 42.882, 169.502 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 84.820 - 2.000 |
| R-factor | 0.18203 |
| Rwork | 0.179 |
| R-free | 0.23806 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.210 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASES |
| Refinement software | REFMAC (5.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 84.820 | 2.110 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.125 | 0.498 |
| Number of reflections | 18593 | |
| <I/σ(I)> | 15 | 3.7 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 7 | 7.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.5 | 298 | PEG8000, pH 6.5, VAPOR DIFFUSION, temperature 298K |
