5WIM
JAK2 Pseudokinase in complex with AT9283
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-E |
Synchrotron site | APS |
Beamline | 24-ID-E |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-02-19 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.987 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 57.791, 60.687, 89.600 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.565 - 2.550 |
R-factor | 0.2109 |
Rwork | 0.209 |
R-free | 0.25840 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.083 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.641 |
High resolution limit [Å] | 2.550 | 2.550 |
Rmerge | 0.102 | 0.729 |
Rpim | 0.068 | 0.485 |
Number of reflections | 10739 | 1054 |
<I/σ(I)> | 14.3 | 3 |
Completeness [%] | 99.8 | 99.34 |
Redundancy | 5.8 | 5.9 |
CC(1/2) | 0.998 | 0.939 |
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. |