4EHZ
The Jak1 kinase domain in complex with inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.1 |
| Synchrotron site | ALS |
| Beamline | 5.0.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.712, 172.175, 88.035 |
| Unit cell angles | 90.00, 92.28, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.174 |
| R-factor | 0.1741 |
| Rwork | 0.171 |
| R-free | 0.22870 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.085 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.7_648)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.250 |
| High resolution limit [Å] | 2.170 | 2.170 |
| Rmerge | 0.100 | 0.373 |
| Number of reflections | 63591 | |
| <I/σ(I)> | 13.5 | 3.2 |
| Completeness [%] | 95.7 | 87.6 |
| Redundancy | 3.5 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 295 | 0.1 M MES pH 5-6 and 25-35% PEG 6000, VAPOR DIFFUSION, SITTING DROP, temperature 295K |
