3JY9
Janus Kinase 2 Inhibitors
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.2 |
Synchrotron site | ALS |
Beamline | 5.0.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-12-21 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.00 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 95.103, 101.257, 68.488 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.100 |
R-factor | 0.201 |
Rwork | 0.195 |
R-free | 0.27100 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | previous determined liganded structure |
RMSD bond length | 0.023 |
RMSD bond angle | 1.901 |
Data reduction software | d*TREK |
Data scaling software | d*TREK (9.9.3D) |
Phasing software | REFMAC |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.550 | 2.180 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.054 | 0.240 |
Total number of observations | 3433 | |
Number of reflections | 18628 | |
<I/σ(I)> | 12.2 | 2.5 |
Completeness [%] | 94.7 | 86.1 |
Redundancy | 3.7 | 2.05 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7 | 298 | 2.1 - 1.5 D-L malic acid, pH 7.0, VAPOR DIFFUSION, temperature 298K |