3CD8
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 | 2006-04-24 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 42.008, 43.208, 158.219 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.000 |
| R-factor | 0.23587 |
| Rwork | 0.233 |
| R-free | 0.28678 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2rfn |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.105 |
| 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 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.056 | 0.193 |
| Number of reflections | 19263 | |
| <I/σ(I)> | 29 | 6.2 |
| Completeness [%] | 94.3 | 78.8 |
| Redundancy | 3.5 | 2.3 |
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 |
