7Y4U
Crystal structure of cMET kinase domain bound by compound 9Y
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 | 2021-10-18 |
Detector | ADSC QUANTUM 1 |
Wavelength(s) | 0.97915 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 65.625, 65.625, 187.911 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.610 - 2.260 |
R-factor | 0.2401 |
Rwork | 0.238 |
R-free | 0.27770 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6sd9 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHENIX |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 41.610 | 2.400 |
High resolution limit [Å] | 2.260 | 2.260 |
Number of reflections | 18081 | 1953 |
<I/σ(I)> | 18.9 | |
Completeness [%] | 90.2 | |
Redundancy | 15.7 | |
CC(1/2) | 1.000 | 0.910 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 291 | 0.1 M HEPES (pH 7.8), 15-30% (v/v) PEG 8000 |