8K79
Crystal structure of c-SRC 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 | 2020-05-29 |
| Detector | ADSC QUANTUM 1 |
| Wavelength(s) | 0.97915 |
| Spacegroup name | P 1 |
| Unit cell lengths | 41.863, 63.056, 73.084 |
| Unit cell angles | 100.48, 91.10, 90.22 |
Refinement procedure
| Resolution | 25.000 - 2.800 |
| R-factor | 0.2485 |
| Rwork | 0.241 |
| R-free | 0.27700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.582 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.19.2_4158: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 2.390 |
| High resolution limit [Å] | 2.330 | 2.330 |
| Number of reflections | 30487 | 2236 |
| <I/σ(I)> | 2.6 | |
| Completeness [%] | 97.3 | |
| Redundancy | 3.2 | |
| CC(1/2) | 0.583 | 0.220 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 2% glycerol, 8% PEG 4000, 50mM sodium acetate, 10mM MgCl2 |
