8G6Z
JAK2 crystal structure in complex with Compound 13
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 | 2022-04-08 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.9763 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 98.090, 36.460, 183.730 |
Unit cell angles | 90.00, 94.02, 90.00 |
Refinement procedure
Resolution | 61.170 - 2.450 |
R-factor | 0.22777 |
Rwork | 0.225 |
R-free | 0.28086 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3iok |
RMSD bond length | 0.007 |
RMSD bond angle | 1.284 |
Data reduction software | xia2 |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | REFMAC (5) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 61.170 | 2.550 |
High resolution limit [Å] | 2.450 | 2.450 |
Rmerge | 0.148 | 0.713 |
Rpim | 0.061 | 0.293 |
Number of reflections | 24503 | 2698 |
<I/σ(I)> | 10.1 | 2.8 |
Completeness [%] | 100.0 | |
Redundancy | 6.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | PEG 3350, ammonium acetate, HEPES |