6SDE
Crystal structure of wild-type cMET bound by savolitinib
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 | 2017-07-13 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.98003 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 42.130, 43.360, 156.410 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.780 - 2.490 |
R-factor | 0.206 |
Rwork | 0.203 |
R-free | 0.27300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2wgj |
RMSD bond length | 0.010 |
RMSD bond angle | 1.070 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | BUSTER (2.11.6) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.360 | 2.560 |
High resolution limit [Å] | 2.490 | 2.490 |
Number of reflections | 10493 | 718 |
<I/σ(I)> | 8.8 | |
Completeness [%] | 99.1 | |
Redundancy | 6.5 | |
CC(1/2) | 0.997 | 0.427 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 15 % 2-propanol, 15 % PEG4K, 0.2 M PCPT pH 7.5 |