8BA2
Crystal structure of JAK2 JH2-V617F in complex with Z902-A1
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 | 2020-11-24 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.97625 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 53.249, 56.761, 114.743 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.350 - 1.500 |
R-factor | 0.1782 |
Rwork | 0.177 |
R-free | 0.20410 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4fvr |
RMSD bond length | 0.016 |
RMSD bond angle | 1.246 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 57.372 | 1.590 |
High resolution limit [Å] | 1.500 | 1.500 |
Number of reflections | 107724 | 17401 |
<I/σ(I)> | 13.64 | 1.46 |
Completeness [%] | 100.0 | 99.8 |
Redundancy | 6.9 | 5.9 |
CC(1/2) | 0.999 | 0.619 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 277 | 0.1M Tris pH 8, 17% PEG4000, 0.2M Na-acetate |