5HTI
Crystal structure of c-Met kinase domain in complex with LXM108
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-05-10 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.9786 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 42.894, 80.557, 91.449 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 31.283 - 1.660 |
| R-factor | 0.1823 |
| Rwork | 0.181 |
| R-free | 0.20560 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4mxc |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.446 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.690 |
| High resolution limit [Å] | 1.660 | 4.500 | 1.660 |
| Rmerge | 0.072 | 0.058 | 0.307 |
| Number of reflections | 38131 | ||
| <I/σ(I)> | 7.8 | ||
| Completeness [%] | 99.7 | 98.4 | 99.9 |
| Redundancy | 10.8 | 10.2 | 10.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.1 | 293 | 10-11% PEG5000MME, 11% isopropanol, 0.1M HEPES pH 7.1 |
