7FHT
Crystal structure of DYRK1A in complex with RD0448
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-17A |
Synchrotron site | Photon Factory |
Beamline | BL-17A |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-02-25 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.98 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 87.088, 87.577, 227.146 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.000 - 2.680 |
R-factor | 0.19143 |
Rwork | 0.188 |
R-free | 0.24938 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3anr |
RMSD bond length | 0.002 |
RMSD bond angle | 1.156 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.850 | 2.770 |
High resolution limit [Å] | 2.680 | 2.680 |
Number of reflections | 49716 | 4479 |
<I/σ(I)> | 10.3 | |
Completeness [%] | 100.0 | |
Redundancy | 6.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 100mM BIS-TRIS propane, 200 mM Sodium fluoride, 22% PEG3350, pH 8.0 |