8JN8
Crystal structure of c-Src in complex with covalent inhibitor DC-Srci-6668
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NFPSS BEAMLINE BL19U1 |
Synchrotron site | NFPSS |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-05-24 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.987 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 51.189, 82.910, 106.623 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.146 - 1.902 |
R-factor | 0.2118 |
Rwork | 0.210 |
R-free | 0.25350 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 0.965 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.12_2829: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.150 | 1.970 |
High resolution limit [Å] | 1.900 | 1.900 |
Number of reflections | 35546 | 3029 |
<I/σ(I)> | 22.77 | |
Completeness [%] | 97.6 | |
Redundancy | 12.8 | |
CC(1/2) | 0.991 | 0.663 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 289 | 0.2M tri-Lithium citrate, 20%(w/v) PEG 3350 |