8AN8
Crystal structure of wild-type c-MET bound by compound 7.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-09-14 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.97949 |
| Spacegroup name | P 1 |
| Unit cell lengths | 42.838, 52.181, 84.074 |
| Unit cell angles | 74.26, 77.64, 70.55 |
Refinement procedure
| Resolution | 48.030 - 2.394 |
| R-factor | 0.2439 |
| Rwork | 0.241 |
| R-free | 0.29800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Equivalent D1228V entry |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.050 |
| Data reduction software | DIALS |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.8 (24-FEB-2021)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 48.030 | 48.040 | 2.440 |
| High resolution limit [Å] | 2.390 | 6.490 | 2.390 |
| Rmeas | 0.171 | 0.050 | 1.050 |
| Rpim | 0.121 | 0.036 | 0.743 |
| Total number of observations | 42356 | 2202 | 1730 |
| Number of reflections | 24844 | 1264 | 1112 |
| <I/σ(I)> | 3.2 | 6.9 | 0.8 |
| Completeness [%] | 96.5 | 98.1 | 89.7 |
| Redundancy | 1.7 | 1.7 | 1.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.4 M am sulfate, PCPT pH 5.5 |
