7UYW
Crystal structure of JAK2 kinase domain in complex with compound 30
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 | 2016-08-15 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.999988913536 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 94.028, 102.761, 68.054 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 69.370 - 2.510 |
| R-factor | 0.2101 |
| Rwork | 0.205 |
| R-free | 0.25950 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.447 |
| Data reduction software | XDS |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 69.370 | 2.720 |
| High resolution limit [Å] | 2.510 | 2.510 |
| Rmerge | 0.084 | 0.437 |
| Rmeas | 0.483 | |
| Number of reflections | 12116 | 2969 |
| <I/σ(I)> | 17.88 | 5.12 |
| Completeness [%] | 99.6 | 99.2 |
| Redundancy | 5.8 | 5.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 298 | Crystals of human JAK2 in complex with the ligand were prepared according to established protocols |
