6VHG
Crystal structure of phosphorylated RET tyrosine kinase domain complexed with a pyrazolo[1,5-a]pyrimidine inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.3 |
| Synchrotron site | ALS |
| Beamline | 5.0.3 |
| Temperature [K] | 80 |
| Detector technology | CCD |
| Collection date | 2014-05-02 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9765 |
| Spacegroup name | P 63 2 2 |
| Unit cell lengths | 97.815, 97.815, 143.963 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 41.000 - 2.303 |
| R-factor | 0.2045 |
| Rwork | 0.203 |
| R-free | 0.23770 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ivu |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.960 |
| Data reduction software | DENZO |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.7 (3-OCT-2019)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.000 | 2.350 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.054 | 0.100 |
| Number of reflections | 18806 | 1167 |
| <I/σ(I)> | 45.2 | |
| Completeness [%] | 97.1 | |
| Redundancy | 12.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 293.15 | 1.8M ammonium sulfate, 0.1M sodium acetate pH 4.6 |
