7A5L
tructure of DYRK1A in complex with compound 24
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-09-25 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 81.750, 81.750, 123.871 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.000 - 2.100 |
| R-factor | 0.1699 |
| Rwork | 0.168 |
| R-free | 0.21930 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2vx3 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.622 |
| Data reduction software | XDS |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.100 | 2.130 |
| High resolution limit [Å] | 2.080 | 2.080 |
| Rmerge | 0.090 | 0.679 |
| Number of reflections | 25943 | 0 |
| <I/σ(I)> | 16.7 | 3.1 |
| Completeness [%] | 99.8 | 97.6 |
| Redundancy | 7 | 6.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.5 | 293 | 0.1M MES buffer at pH 6.5, 12% Peg3350, 0.2M MgCl2 |
