5E1E
Human JAK1 kinase in complex with compound 30 at 2.30 Angstroms resolution
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 | 2010-08-16 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9999 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 43.095, 88.708, 174.928 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.730 - 2.300 |
| R-factor | 0.2265 |
| Rwork | 0.225 |
| R-free | 0.26830 |
| Structure solution method | OTHER |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.060 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | BUSTER (2.11.6) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 87.460 | 2.450 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.110 | 0.678 |
| Number of reflections | 30744 | |
| Completeness [%] | 99.8 | 99.5 |
| Redundancy | 5.8 | 6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 277 | 27% (m/v) PEG6000, 0.1 M MES/NaOH pH 6.0 and 5 mM DTT |
