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 |