7AJ8
Structure of DYRK1A in complex with compound 25
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2010-01-28 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.9763 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 81.576, 81.576, 123.931 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 25.000 - 2.000 |
R-factor | 0.1746 |
Rwork | 0.173 |
R-free | 0.21040 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2vx3 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.585 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.970 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.107 | 0.797 |
Number of reflections | 31963 | 2125 |
<I/σ(I)> | 14.1 | 0.9 |
Completeness [%] | 94.9 | 64.6 |
Redundancy | 5.9 | 4.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 6.5 | 293 | 12% PEG3350, 0.1M MES buffer pH6.5, 0.2M MgCl2 |