7AKA
Structure of DYRK1A in complex with compound 54
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 | 2011-12-15 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 57.827, 84.616, 84.239 |
| Unit cell angles | 90.00, 107.68, 90.00 |
Refinement procedure
| Resolution | 25.000 - 1.900 |
| R-factor | 0.1742 |
| Rwork | 0.172 |
| R-free | 0.21130 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2vx3 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.559 |
| 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] | 29.100 | 1.810 |
| High resolution limit [Å] | 1.770 | 1.770 |
| Rmerge | 0.041 | 2.050 |
| Number of reflections | 70661 | 1 |
| <I/σ(I)> | 12.4 | 0.9 |
| Completeness [%] | 93.3 | 56.5 |
| Redundancy | 2.6 | 1.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 25% PEG4k, 0.2M Mg chloride, 0.1M MES buffer pH 6.5 |
