4YU2
Crystal structure of DYRK1A with harmine-derivatized AnnH-75 inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-10-31 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.92000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 265.567, 65.444, 138.648 |
| Unit cell angles | 90.00, 114.44, 90.00 |
Refinement procedure
| Resolution | 48.340 - 2.900 |
| R-factor | 0.24478 |
| Rwork | 0.243 |
| R-free | 0.27715 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2wo6 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.223 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.340 | 3.060 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.126 | 0.928 |
| Number of reflections | 48349 | |
| <I/σ(I)> | 10.6 | 2 |
| Completeness [%] | 99.5 | 99.5 |
| Redundancy | 6.7 | 6.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 9 | 277 | 31% PEG 400, 0.2 M lithium sulfate, 0.1 M Tris, pH 9.0 |
