8B9H
Crystal structure of JAK2 JH2 in complex with Z902-A3
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 1 21 1 |
Unit cell lengths | 44.181, 57.081, 61.378 |
Unit cell angles | 90.00, 110.95, 90.00 |
Refinement procedure
Resolution | 41.260 - 1.500 |
R-factor | 0.182 |
Rwork | 0.181 |
R-free | 0.20850 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4fvr |
RMSD bond length | 0.009 |
RMSD bond angle | 0.887 |
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] | 57.319 | 1.590 |
High resolution limit [Å] | 1.500 | 1.500 |
Number of reflections | 86234 | 12884 |
<I/σ(I)> | 12.23 | 1.05 |
Completeness [%] | 95.9 | 88.7 |
Redundancy | 3.6 | 3.3 |
CC(1/2) | 0.999 | 0.680 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 277 | 0.1M Tris pH 8, 20% PEG4000, 0.2M Na-acetate |