3CE3
Crystal structure of the tyrosine kinase domain of the hepatocyte growth factor receptor C-MET in complex with a Pyrrolopyridinepyridone based inhibitor
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 | 2005-11-27 |
Detector | ADSC QUANTUM 210 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 43.040, 49.137, 159.324 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.400 |
R-factor | 0.2095 |
Rwork | 0.206 |
R-free | 0.27510 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 0.848 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | BUSTER-TNT (2.1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.490 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.144 | 0.467 |
Number of reflections | 10949 | |
<I/σ(I)> | 10 | 1.1 |
Completeness [%] | 81.3 | 69.9 |
Redundancy | 3.8 | 2.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.1 | 12% MEPEG 5000, 0.1M HEPES, 11% 2-PROPANOL., pH 7.1 |