3CCN
X-ray structure of c-Met with triazolopyridazine inhibitor.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ SUPERBRIGHT |
| Temperature [K] | 130 |
| Detector technology | IMAGE PLATE |
| Collection date | 2006-04-04 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 42.058, 43.440, 157.827 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.900 |
| R-factor | 0.2379 |
| Rwork | 0.236 |
| R-free | 0.27545 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2rfn |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.057 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.050 | 0.170 |
| Number of reflections | 21891 | |
| <I/σ(I)> | 28 | 6.5 |
| Completeness [%] | 92.1 | 81.9 |
| Redundancy | 3 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7.8 | 298 | 0.1M HEPES pH 7.8, 15% PEG 4K, 6% 2-Propanol, 40mM BME, and 3% Ethanol., VAPOR DIFFUSION, temperature 298K |
