29RX
Crystal structure of JAK2 JH1 in complex with ADP
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 | 2021-11-29 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.976250 |
| Spacegroup name | I 1 2 1 |
| Unit cell lengths | 50.261, 69.191, 320.488 |
| Unit cell angles | 90.00, 90.21, 90.00 |
Refinement procedure
| Resolution | 80.120 - 1.800 |
| R-factor | 0.309 |
| Rwork | 0.307 |
| R-free | 0.34960 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.237 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.21.1_5286) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 80.120 | 1.830 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Number of reflections | 101845 | 4986 |
| <I/σ(I)> | 7.8 | 1.8 |
| Completeness [%] | 99.8 | |
| Redundancy | 6.8 | |
| CC(1/2) | 0.998 | 0.908 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.2 | 295 | 0.1 M GLY-GLY PH 8.2, 1.6 M NA-MALONATE |
