5TKD
CRYSTAL STRUCTURE OF TYROSINE KINASE 2 JH2 (PSEUDO KINASE DOMAIN) COMPLEXED WITH 6-[(3,5-DIMETHYLPHE NYL)AMINO]-8- (METHYLAMINO)IMIDAZO[1,2-B]PYRIDAZINE-3-CARBO XAMIDE
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2011-06-09 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 69.599, 65.702, 74.702 |
Unit cell angles | 90.00, 112.42, 90.00 |
Refinement procedure
Resolution | 28.110 - 1.920 |
R-factor | 0.193 |
Rwork | 0.192 |
R-free | 0.21500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4wov |
RMSD bond length | 0.010 |
RMSD bond angle | 0.950 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | BUSTER-TNT (2.11.7) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.600 | 2.020 |
High resolution limit [Å] | 1.920 | 1.920 |
Number of reflections | 47129 | |
<I/σ(I)> | 9.5 | 2.4 |
Completeness [%] | 98.9 | 99.1 |
Redundancy | 3.4 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 6.5 | 298 |