8C08
Crystal structure of JAK2 JH2-K539L
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 | P 43 |
Unit cell lengths | 46.857, 46.857, 309.461 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 77.370 - 2.200 |
R-factor | 0.2667 |
Rwork | 0.230 |
R-free | 0.25930 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4fvr |
RMSD bond length | 0.002 |
RMSD bond angle | 0.515 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 77.370 | 2.270 |
High resolution limit [Å] | 2.200 | 2.200 |
Number of reflections | 33692 | 2903 |
<I/σ(I)> | 13.6 | 1.2 |
Completeness [%] | 100.0 | 99.7 |
Redundancy | 14.2 | 14.2 |
CC(1/2) | 0.999 | 0.574 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 277 | 0.1 M Tris pH 8.0, 20% PEG4000, 0.1 M Mg-acetate, 1 mM ATP, 3 mM MgCl2. |