7A5N
Structure of DYRK1A in complex with compound 34
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-12-06 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 57.361, 85.368, 84.804 |
| Unit cell angles | 90.00, 107.06, 90.00 |
Refinement procedure
| Resolution | 25.000 - 2.300 |
| R-factor | 0.2219 |
| Rwork | 0.219 |
| R-free | 0.28510 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2vx3 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.513 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 58.800 | 2.380 |
| High resolution limit [Å] | 2.270 | 2.270 |
| Rmerge | 0.113 | 0.691 |
| Number of reflections | 22364 | 1119 |
| <I/σ(I)> | 8.2 | 1.6 |
| Completeness [%] | 61.5 | |
| Redundancy | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7.5 | 293 | 0.1M Hepes buffer at pH 7.5, 20% Peg4k, 0.2M MgCl2 |
