2HWP
Crystal structure of Src kinase domain in complex with covalent inhibitor PD168393
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.1 |
| Synchrotron site | ALS |
| Beamline | 8.2.1 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | P 1 |
| Unit cell lengths | 42.063, 63.012, 73.692 |
| Unit cell angles | 100.74, 89.81, 90.20 |
Refinement procedure
| Resolution | 72.360 - 2.480 |
| R-factor | 0.22768 |
| Rwork | 0.225 |
| R-free | 0.27600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.435 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 43.200 |
| High resolution limit [Å] | 2.470 |
| Number of reflections | 31120 |
| Completeness [%] | 92.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 323 | VAPOR DIFFUSION, HANGING DROP, temperature 323K |
