5TR6
Discovery of TAK-659, an Orally Available Investigational Inhibitor of Spleen Tyrosine Kinase (SYK)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.3 |
Synchrotron site | ALS |
Beamline | 5.0.3 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-07-14 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9764848 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 39.941, 85.283, 90.283 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 1.930 |
R-factor | 0.1945 |
Rwork | 0.193 |
R-free | 0.21720 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.121 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 50.000 |
High resolution limit [Å] | 1.930 |
Number of reflections | 22613 |
<I/σ(I)> | 17.6 |
Completeness [%] | 99.5 |
Redundancy | 5.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.1 | 293 | 0.7M Potassium Na Tartrate, 0.06M MES_Na, 0.04M MES |