7AJV
Structure of DYRK1A in complex with compound 38
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 | 2011-06-17 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.00 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 58.079, 84.758, 84.685 |
Unit cell angles | 90.00, 107.54, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.100 |
R-factor | 0.1824 |
Rwork | 0.180 |
R-free | 0.21930 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2vx3 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.523 |
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] | 55.400 | 2.140 |
High resolution limit [Å] | 2.070 | 2.070 |
Rmerge | 0.068 | 0.715 |
Number of reflections | 45971 | 4570 |
<I/σ(I)> | 13.1 | 1.7 |
Completeness [%] | 96.3 | 98 |
Redundancy | 2.9 | 2.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 293 | 12% PEG3350, 0.2M ammonium sulphate, 0.05M Mg sulphate, 0.05M Na citrate buffer pH 5.6 |