5W86
CRYSTAL STRUCTURE OF JAK3 KINASE DOMAIN WITH A 4,6-DIAMINONICOTINAMIDE INHIBITOR (COMPOUND NUMBER 7)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2008-02-20 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1.0073 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 56.983, 112.297, 97.119 |
Unit cell angles | 90.00, 90.06, 90.00 |
Refinement procedure
Resolution | 56.980 - 2.610 |
R-factor | 0.211 |
Rwork | 0.209 |
R-free | 0.26400 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.110 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Refinement software | BUSTER (2.11.7) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 56.980 | 2.720 |
High resolution limit [Å] | 2.610 | 2.610 |
Rmerge | 0.132 | 0.378 |
Number of reflections | 37235 | |
<I/σ(I)> | 8.5 | |
Completeness [%] | 98.0 | 99.3 |
Redundancy | 2.8 | 2.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 |