7DU8
Crystal structure of human Proto-oncogene tyrosine-protein kinase receptor Ret in complex with Selpercatinib
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-03-27 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9999 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 50.771, 80.265, 79.910 |
| Unit cell angles | 90.00, 99.61, 90.00 |
Refinement procedure
| Resolution | 78.790 - 2.750 |
| R-factor | 0.2171 |
| Rwork | 0.214 |
| R-free | 0.27710 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.461 |
| Data scaling software | XSCALE |
| Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 78.790 | 3.000 |
| High resolution limit [Å] | 2.750 | 2.750 |
| Rmeas | 0.130 | 0.544 |
| Number of reflections | 15607 | 3643 |
| <I/σ(I)> | 9.45 | 2.77 |
| Completeness [%] | 94.1 | 96.4 |
| Redundancy | 2.8 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293.15 | 0.20 M LiCl, 0.10 M Na Acetate, pH 4.50, 2.5 M Na Formate, 5 mM MgCl2 |
