7AJV
Structure of DYRK1A in complex with compound 38
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2011-06-17 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 58.079, 84.758, 84.685 |
| Unit cell angles | 90.00, 107.54, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.100 |
| R-factor | 0.1824 |
| Rwork | 0.180 |
| R-free | 0.21930 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2vx3 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.523 |
| 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] | 55.400 | 2.140 |
| High resolution limit [Å] | 2.070 | 2.070 |
| Rmerge | 0.068 | 0.715 |
| Number of reflections | 45971 | 4570 |
| <I/σ(I)> | 13.1 | 1.7 |
| Completeness [%] | 96.3 | 98 |
| Redundancy | 2.9 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 293 | 12% PEG3350, 0.2M ammonium sulphate, 0.05M Mg sulphate, 0.05M Na citrate buffer pH 5.6 |
