5TTV
Jak3 with covalent inhibitor 6
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-D |
Synchrotron site | APS |
Beamline | 21-ID-D |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-12-15 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 46.628, 75.661, 88.740 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.850 - 1.930 |
R-factor | 0.1949 |
Rwork | 0.192 |
R-free | 0.25000 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.130 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | BUSTER (2.11.6) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 20.000 | 20.000 | 2.020 |
High resolution limit [Å] | 1.930 | 4.190 | 1.930 |
Rmerge | 0.055 | 0.035 | 0.333 |
Number of reflections | 23119 | ||
<I/σ(I)> | 9.1 | ||
Completeness [%] | 97.0 | 93.7 | 97.9 |
Redundancy | 4.4 | 4.3 | 4.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 298 | 20% PEG 3350, 0.2M (NH4)2SO4, 2% phenylurea |