7AK2
Structure of DYRK1A in complex with compound 53
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 | 2011-11-09 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9793 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 58.250, 85.050, 84.740 |
Unit cell angles | 90.00, 107.94, 90.00 |
Refinement procedure
Resolution | 25.000 - 2.100 |
R-factor | 0.1984 |
Rwork | 0.197 |
R-free | 0.23080 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2vx3 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.545 |
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] | 58.500 | 2.090 |
High resolution limit [Å] | 2.020 | 2.020 |
Rmerge | 0.058 | 0.676 |
Number of reflections | 51134 | 5041 |
<I/σ(I)> | 11.8 | 1.8 |
Completeness [%] | 99.1 | 99.8 |
Redundancy | 3.3 | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293 | 15% PEG 4K, 0.2M ammonium sulphate, 0.1M sodium DL-malate buffer pH 5.5 |