6QU2
Crystal structure of DYRK1A complexed with FC162 inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.2 |
| Synchrotron site | BESSY |
| Beamline | 14.2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-10-18 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.9184 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 245.886, 65.889, 148.337 |
| Unit cell angles | 90.00, 115.50, 90.00 |
Refinement procedure
| Resolution | 49.040 - 2.900 |
| R-factor | 0.2037 |
| Rwork | 0.202 |
| R-free | 0.24170 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4yll |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.203 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.32) |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.040 | 3.060 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.124 | 0.573 |
| Rmeas | 0.173 | 0.794 |
| Rpim | 0.098 | 0.448 |
| Number of reflections | 47406 | 6853 |
| <I/σ(I)> | 6.9 | 1.8 |
| Completeness [%] | 98.8 | 99 |
| Redundancy | 2.9 | 2.9 |
| CC(1/2) | 0.985 | 0.661 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.75 | 277 | 31% PEG 400, 0.25 M lithium sulfate and 0.1 M Tris, pH 8.75 |
