6DUD
JAK3 with cyanamide CP12
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-06-12 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.00 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 47.600, 75.520, 88.950 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 22.150 - 1.660 |
R-factor | 0.185 |
Rwork | 0.184 |
R-free | 0.21500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | in-house model |
RMSD bond length | 0.010 |
RMSD bond angle | 0.930 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | BUSTER |
Refinement software | BUSTER (2.11.7) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 75.600 | 1.663 |
High resolution limit [Å] | 1.658 | 1.658 |
Rmerge | 0.057 | 0.930 |
Number of reflections | 34646 | 367 |
<I/σ(I)> | 15.8 | 1.9 |
Completeness [%] | 88.9 | 100 |
Redundancy | 6.1 | 6.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | 20% PEG 3350, 0.2M (NH4)2SO4, 2% phenylurea |