7B41
Crystal structure of c-MET bound by compound 7
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-08-31 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.99987 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 111.670, 42.620, 86.440 |
| Unit cell angles | 90.00, 122.07, 90.00 |
Refinement procedure
| Resolution | 47.310 - 1.970 |
| R-factor | 0.198 |
| Rwork | 0.196 |
| R-free | 0.23300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | internal |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.020 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.7) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.315 | 1.999 |
| High resolution limit [Å] | 1.965 | 1.965 |
| Rmerge | 0.140 | 1.632 |
| Rmeas | 0.157 | |
| Rpim | 0.070 | 0.838 |
| Total number of observations | 119240 | |
| Number of reflections | 23793 | 1178 |
| <I/σ(I)> | 7.7 | |
| Completeness [%] | 95.6 | 96.3 |
| Redundancy | 5 | 4.7 |
| CC(1/2) | 0.994 | 0.403 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 25 % PEG3350, 0.2 M MgCl2, 0.1 M bis-tris pH 5.5 |
