8G8O
The crystal structure of JAK2 in complex with Compound 31
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-06-27 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 36.580, 179.560, 52.210 |
| Unit cell angles | 90.00, 110.53, 90.00 |
Refinement procedure
| Resolution | 47.180 - 2.200 |
| R-factor | 0.18948 |
| Rwork | 0.187 |
| R-free | 0.23127 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3iok |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.623 |
| Data reduction software | xia2 |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.180 | 2.270 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.175 | 1.319 |
| Rpim | 0.075 | 0.534 |
| Number of reflections | 31923 | 2810 |
| <I/σ(I)> | 8.2 | 1.5 |
| Completeness [%] | 99.9 | |
| Redundancy | 6.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | PEG 3350, ammonium acetate, HEPES |
