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 |
