6N7B
Structure of the human JAK1 kinase domain with compound 38
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 | 2016-04-29 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.92 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 170.285, 42.788, 44.986 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 85.140 - 1.810 |
| R-factor | 0.222 |
| Rwork | 0.220 |
| R-free | 0.26400 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.070 |
| 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] | 85.140 | 1.850 |
| High resolution limit [Å] | 1.810 | 1.810 |
| Rmerge | 0.124 | 1.088 |
| Number of reflections | 30527 | 1738 |
| <I/σ(I)> | 5.5 | 1.1 |
| Completeness [%] | 98.8 | 97.1 |
| Redundancy | 1.9 | 1.9 |
| CC(1/2) | 0.982 | 0.262 |
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 |
