7DG4
The co-crystal structure of DYRK2 with a small molecule inhibitor 6
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U1 |
| Synchrotron site | SSRF |
| Beamline | BL17U1 |
| Temperature [K] | 293 |
| Detector technology | PIXEL |
| Collection date | 2018-10-09 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 64.580, 128.880, 132.480 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 64.440 - 2.580 |
| R-factor | 0.2062 |
| Rwork | 0.201 |
| R-free | 0.24950 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3k2l |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.14) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 64.440 | 2.550 |
| High resolution limit [Å] | 2.410 | 2.410 |
| Rmerge | 0.945 | |
| Number of reflections | 21752 | 3121 |
| <I/σ(I)> | 7.9 | |
| Completeness [%] | 99.9 | |
| Redundancy | 7.9 | |
| CC(1/2) | 0.990 | 0.818 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.36M-0.5M sodium citrate tribasic dehydrate, 0.01M sodium borate, pH 7.5-9.5 |
