6DB4
JAK3 with Cyanamide CP34
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 | 2011-12-07 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 48.142, 75.137, 88.558 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 23.810 - 1.662 |
R-factor | 0.1868 |
Rwork | 0.185 |
R-free | 0.21570 |
RMSD bond length | 0.010 |
RMSD bond angle | 0.940 |
Data reduction software | TRUNCATE |
Data scaling software | SCALA (3.3.16) |
Refinement software | BUSTER (2.11.2) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 88.558 | 88.558 | 1.750 |
High resolution limit [Å] | 1.662 | 5.260 | 1.662 |
Rmerge | 0.017 | 0.268 | |
Rmeas | 0.034 | 0.020 | 0.338 |
Rpim | 0.013 | 0.008 | 0.147 |
Total number of observations | 235890 | ||
Number of reflections | 38477 | 1337 | 5528 |
<I/σ(I)> | 31.9 | 26.2 | 2.8 |
Completeness [%] | 99.8 | 98.7 | 99.9 |
Redundancy | 6.1 | 5.6 | 5.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | 20% PEG 3350, 0.2M (NH4)2SO4, 2% phenylurea |