4YLK
Crystal structure of DYRK1A in complex with 10-Chloro-substituted 11H-indolo[3,2-c]quinolone-6-carboxylic acid inhibitor 5s
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-07-13 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.92000 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 99.970, 69.870, 67.860 |
Unit cell angles | 90.00, 117.69, 90.00 |
Refinement procedure
Resolution | 30.070 - 1.400 |
R-factor | 0.15597 |
Rwork | 0.155 |
R-free | 0.17671 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2wo6 |
RMSD bond length | 0.016 |
RMSD bond angle | 1.775 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.280 | 1.480 |
High resolution limit [Å] | 1.400 | 1.400 |
Rmerge | 0.077 | 0.386 |
Number of reflections | 78842 | |
<I/σ(I)> | 10.7 | 3.5 |
Completeness [%] | 97.1 | 97.3 |
Redundancy | 4.4 | 4.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 277 | 2 M ammonium sulfate, 0.1 M citrate, pH 5.6, 0.2 M potassium/sodium tartrate |