8B99
Crystal structure of JAK2 JH2-V617F in complex with JNJ-7706621
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 | 2020-07-03 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.97625 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 53.413, 56.724, 114.509 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.300 - 1.600 |
R-factor | 0.1902 |
Rwork | 0.189 |
R-free | 0.21080 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4fvr |
RMSD bond length | 0.006 |
RMSD bond angle | 0.875 |
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] | 40.300 | 1.700 |
High resolution limit [Å] | 1.600 | 1.600 |
Number of reflections | 85687 | 11732 |
<I/σ(I)> | 16.41 | 0.83 |
Completeness [%] | 96.6 | 81.6 |
Redundancy | 6.6 | 4.7 |
CC(1/2) | 1.000 | 0.365 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 277 | 0.1M Tris pH 8, 22% PEG4000, 0.2M Na-acetate |