6AAK
Crystal structure of JAK3 in complex with peficitinib
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08ID-1 |
| Synchrotron site | CLSI |
| Beamline | 08ID-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-02-20 |
| Detector | RAYONIX MX-300 |
| Wavelength(s) | 0.97949 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 57.076, 114.644, 107.358 |
| Unit cell angles | 90.00, 97.65, 90.00 |
Refinement procedure
| Resolution | 106.400 - 2.670 |
| R-factor | 0.269 |
| Rwork | 0.269 |
| R-free | 0.32600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.248 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 106.400 | 2.920 |
| High resolution limit [Å] | 2.670 | 2.670 |
| Rmerge | 0.063 | 0.437 |
| Number of reflections | 36956 | |
| <I/σ(I)> | 12.16 | |
| Completeness [%] | 94.8 | 91.9 |
| Redundancy | 2 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | buffer, salt, precipitant |
