7UYV
Crystal structure of JAK3 kinase domain in complex with compound 25
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-01-02 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.00000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 57.074, 114.166, 106.086 |
| Unit cell angles | 90.00, 97.54, 90.00 |
Refinement procedure
| Resolution | 105.170 - 2.150 |
| R-factor | 0.2215 |
| Rwork | 0.221 |
| R-free | 0.26290 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.085 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 105.170 | 2.400 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Rmerge | 0.065 | 0.434 |
| Rmeas | 0.539 | |
| Number of reflections | 70329 | 19754 |
| <I/σ(I)> | 14.04 | 2.76 |
| Completeness [%] | 96.0 | 96.3 |
| Redundancy | 2.8 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 298 | Crystals of human JAK3 in complex with the ligand were prepared according to established protocols |
