6M9H
JAK2 JH2 in complex with diaminopyrimidine JAK040
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 | 2015-03-30 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.98 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 44.298, 57.600, 60.691 |
Unit cell angles | 90.00, 110.17, 90.00 |
Refinement procedure
Resolution | 56.971 - 1.790 |
R-factor | 0.1725 |
Rwork | 0.171 |
R-free | 0.20630 |
RMSD bond length | 0.008 |
RMSD bond angle | 0.928 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 56.971 | 1.850 |
High resolution limit [Å] | 1.790 | 1.790 |
Rmerge | 1.311 | 7.879 |
Number of reflections | 27116 | |
<I/σ(I)> | 14.25 | |
Completeness [%] | 98.0 | |
Redundancy | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 277 | 0.1M Tris, pH 8.0 0.2M Sodium acetate 12-20% PEG 4,000 |