7AJY
Structure of DYRK1A in complex with compound 51
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2011-08-11 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 58.314, 84.701, 85.047 |
| Unit cell angles | 90.00, 107.53, 90.00 |
Refinement procedure
| Resolution | 25.000 - 2.200 |
| R-factor | 0.1853 |
| Rwork | 0.183 |
| R-free | 0.22510 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2vx3 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.620 |
| 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] | 46.500 | 2.260 |
| High resolution limit [Å] | 2.140 | 2.140 |
| Rmerge | 0.072 | 0.481 |
| Number of reflections | 40920 | 5085 |
| <I/σ(I)> | 8.9 | 2.3 |
| Completeness [%] | 94.5 | 80.5 |
| Redundancy | 2.8 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 30% PegMME 5k, 0.1M ammonium sulphate, 0.1M ADA buffer pH 6.5 |
