3F82
Crystal structure of the tyrosine kinase domain of the hepatocyte growth factor receptor C-MET in complex with N-(4-(2-amino-3-chloropyridin-4-yloxy)-3-fluorophenyl)-4-ethoxy-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-08-17 |
Detector | ADSC QUANTUM 210 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 42.670, 46.883, 157.650 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 16.540 - 2.500 |
R-factor | 0.1834 |
Rwork | 0.180 |
R-free | 0.25330 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | MET KINASE COMPLEXED WITH BMS-758982 |
RMSD bond length | 0.006 |
RMSD bond angle | 0.868 |
Data reduction software | HKL-2000 ((DENZO)) |
Data scaling software | HKL-2000 ((SCALEPACK)) |
Phasing software | AMoRE |
Refinement software | BUSTER-TNT (2.5.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.000 | 2.590 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.079 | 0.275 |
Number of reflections | 11610 | |
<I/σ(I)> | 17.3 | 4.2 |
Completeness [%] | 99.4 | 97.2 |
Redundancy | 4.3 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.1 | 12% MEPEG 5000, 0.1M HEPES (PH 7.1) 11% 2-PROPANOL |