6BBU
Crystal Structure of JAK1 in complex with compound 25
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 | 2017-10-10 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 1 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 46.530, 88.100, 146.050 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.170 - 2.080 |
R-factor | 0.1846 |
Rwork | 0.183 |
R-free | 0.21350 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.040 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | BUSTER |
Refinement software | BUSTER (2.11.6) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 44.200 |
High resolution limit [Å] | 2.080 |
Number of reflections | 77218 |
<I/σ(I)> | 14.4 |
Completeness [%] | 89.8 |
Redundancy | 2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 281 | 250mM NaCl, 5mM TCEP, 10 mM ATP, 10 mM MgCl2, 30% PEG1500, 8% MPD, 0.1M Tris pH 9.0 |