8K78
Crystal structure of cMET kinase domain bound by TPX-0022
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U |
Synchrotron site | SSRF |
Beamline | BL17U |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2021-05-30 |
Detector | ADSC QUANTUM 1 |
Wavelength(s) | 0.9791 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 45.054, 66.625, 55.294 |
Unit cell angles | 90.00, 107.00, 90.00 |
Refinement procedure
Resolution | 43.090 - 2.670 |
R-factor | 0.2439 |
Rwork | 0.239 |
R-free | 0.28980 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.003 |
RMSD bond angle | 0.536 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER (3.25) |
Refinement software | PHENIX ((1.19.2_4158: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.100 | 2.765 |
High resolution limit [Å] | 2.670 | 2.670 |
Number of reflections | 15491 | 873 |
<I/σ(I)> | 4.1 | |
Completeness [%] | 95.8 | |
Redundancy | 3.1 | |
CC(1/2) | 0.972 | 0.772 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | 25% PEG 8K |