6N78
Structure of the human JAK1 kinase domain with compound 21
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-02-24 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9282 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 171.910, 43.150, 45.450 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.450 - 1.830 |
| R-factor | 0.236 |
| Rwork | 0.234 |
| R-free | 0.26100 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.000 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.7) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 57.320 | 1.880 |
| High resolution limit [Å] | 1.830 | 1.830 |
| Rmerge | 0.086 | 1.440 |
| Number of reflections | 30830 | |
| <I/σ(I)> | 8.8 | 1.1 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 6.3 | 6 |
| CC(1/2) | 0.998 | 0.665 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 277 | 0.1 M MES pH 5-6 and 25-35% PEG 6000 |
