7VKO
Crystal structure of TrkA kinase with repotrectinib
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08ID-1 |
| Synchrotron site | CLSI |
| Beamline | 08ID-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-09-10 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97934 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 104.761, 104.761, 204.506 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 44.580 - 2.900 |
| R-factor | 0.18843 |
| Rwork | 0.184 |
| R-free | 0.26738 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4yne |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.704 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.540 | 3.080 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.059 | 0.490 |
| Number of reflections | 9735 | 1555 |
| <I/σ(I)> | 8.2 | |
| Completeness [%] | 99.0 | |
| Redundancy | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1M citric acid PH 5.0, 8M ammonium sulfate |
