7AKB
Structure of DYRK1A in complex with compound 56
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 | 57.480, 83.820, 83.730 |
| Unit cell angles | 90.00, 107.81, 90.00 |
Refinement procedure
| Resolution | 25.000 - 2.800 |
| R-factor | 0.1966 |
| Rwork | 0.194 |
| R-free | 0.24780 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2vx3 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.473 |
| 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] | 57.800 | 2.840 |
| High resolution limit [Å] | 2.760 | 2.760 |
| Rmerge | 0.109 | 0.453 |
| Number of reflections | 19086 | 1387 |
| <I/σ(I)> | 4.9 | 2 |
| Completeness [%] | 98.1 | 97.2 |
| Redundancy | 2.6 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 7% PEG 8k, 0.15M Ca acetate, 16% ethylene glycol, 0.1M MES buffer pH 6.5 |
