6WTN
Human JAK2 JH1 domain in complex with Ruxolitinib
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-11-08 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 78.850, 78.850, 84.827 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 36.030 - 1.830 |
| R-factor | 0.1883 |
| Rwork | 0.187 |
| R-free | 0.20840 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5usy |
| Data reduction software | xia2 |
| Data scaling software | Aimless (0.7.3) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.17) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 36.040 | 36.040 | 1.880 |
| High resolution limit [Å] | 1.830 | 8.180 | 1.830 |
| Rmerge | 0.076 | 0.037 | 0.835 |
| Rmeas | 0.083 | 0.041 | 0.908 |
| Rpim | 0.032 | 0.016 | 0.353 |
| Total number of observations | 179497 | 2123 | 12663 |
| Number of reflections | 27349 | 363 | 1992 |
| <I/σ(I)> | 10.8 | 23.7 | 2.1 |
| Completeness [%] | 99.9 | 99.3 | 99.9 |
| Redundancy | 6.6 | 5.8 | 6.4 |
| CC(1/2) | 0.998 | 0.999 | 0.718 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 291 | 1.6-2.4 M sodium malonate, pH 5 |
