6E6E
DGY-06-116, a novel and selective covalent inhibitor of SRC kinase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-06-14 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.97951 |
| Spacegroup name | P 1 |
| Unit cell lengths | 63.534, 84.028, 120.109 |
| Unit cell angles | 89.96, 90.05, 90.12 |
Refinement procedure
| Resolution | 43.660 - 2.150 |
| R-factor | 0.2517 |
| Rwork | 0.250 |
| R-free | 0.28490 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4mxo |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.592 |
| Data reduction software | HKL-3000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.14rc3_3199) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.190 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Rmerge | 0.127 | 0.964 |
| Rpim | 0.076 | |
| Number of reflections | 123213 | 6186 |
| <I/σ(I)> | 9.68 | |
| Completeness [%] | 91.7 | 91.6 |
| Redundancy | 3.6 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 0.1M Magnesium Formate Dihydrate; 15% PEG3350 |
