7FHS
Crystal structure of DYRK1A in complex with RD0392
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-17A |
| Synchrotron site | Photon Factory |
| Beamline | BL-17A |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-04-25 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 87.630, 88.182, 228.038 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.000 - 2.420 |
| R-factor | 0.23414 |
| Rwork | 0.232 |
| R-free | 0.27494 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3anr |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.823 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.120 | 2.480 |
| High resolution limit [Å] | 2.420 | 2.420 |
| Number of reflections | 67838 | 4466 |
| <I/σ(I)> | 10.2 | |
| Completeness [%] | 99.5 | |
| Redundancy | 6.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 100 mM Bis-Tris propane (pH 8.0), 200 mM Sodium fluoride and 18 % (w/v) PEG 3350 |
