7AKE
Structure of DYRK1A in complex with compound 58
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-01-30 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 58.250, 84.950, 84.910 |
| Unit cell angles | 90.00, 107.66, 90.00 |
Refinement procedure
| Resolution | 25.000 - 2.300 |
| R-factor | 0.2304 |
| Rwork | 0.228 |
| R-free | 0.28370 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2vx3 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.549 |
| 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] | 85.000 | 2.290 |
| High resolution limit [Å] | 2.230 | 2.230 |
| Rmerge | 0.079 | 1.290 |
| Number of reflections | 34961 | 498 |
| <I/σ(I)> | 8.4 | |
| Completeness [%] | 90.9 | 17.5 |
| Redundancy | 2.8 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 25% PEG 3350, 0.1M Hepes buffer pH 7.5, 0.2M ammonium acetate |
