5WIL
JAK2 Pseudokinase in complex with AZD7762
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-03-18 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.9792 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 57.618, 60.674, 90.451 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.930 - 2.200 |
R-factor | 0.2011 |
Rwork | 0.199 |
R-free | 0.23120 |
RMSD bond length | 0.014 |
RMSD bond angle | 1.315 |
Data reduction software | xia2 |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 37.930 | 2.279 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.100 | 0.611 |
Rpim | 0.066 | 0.449 |
Number of reflections | 16296 | 1482 |
<I/σ(I)> | 14.2 | 2.2 |
Completeness [%] | 97.7 | 91.09 |
Redundancy | 5.7 | 4.7 |
CC(1/2) | 0.998 | 0.815 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 277 | 200 mM Sodium Acetate, 100 mM Tris-HCl, 18%-30%(w/v) polyethylene glycol 4000. |