5LXC
Crystal structure of DYRK2 in complex with EHT 5372 (Compound 1)
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 | 2012-12-19 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.9200 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 130.220, 60.980, 148.790 |
Unit cell angles | 90.00, 105.04, 90.00 |
Refinement procedure
Resolution | 49.430 - 2.150 |
R-factor | 0.20808 |
Rwork | 0.206 |
R-free | 0.25401 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.015 |
RMSD bond angle | 1.443 |
Data reduction software | iMOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.430 | 2.270 |
High resolution limit [Å] | 2.150 | 2.150 |
Rmerge | 0.107 | 0.578 |
Number of reflections | 60094 | |
<I/σ(I)> | 8.2 | 2.1 |
Completeness [%] | 97.6 | 98.7 |
Redundancy | 4 | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 277.15 | 25% PEG 3350, 0.2 M NaCl and 0.1 M bis-tris, pH 5.5 |