6GGH
Human jak1 kinase domain in complex with inhibitor
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 | 2013-12-20 |
| Detector | DECTRIS PILATUS3 X 1M |
| Wavelength(s) | 0.9999 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.987, 170.327, 45.026 |
| Unit cell angles | 90.00, 94.06, 90.00 |
Refinement procedure
| Resolution | 85.160 - 1.700 |
| R-factor | 0.19229 |
| Rwork | 0.189 |
| R-free | 0.26186 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3eyg |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.297 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 85.160 | 1.950 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.050 | 0.440 |
| Number of reflections | 68097 | |
| <I/σ(I)> | 10.94 | |
| Completeness [%] | 96.4 | 96.4 |
| Redundancy | 2.3 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 278 | 27% (m/v) PEG6000, 0.1 M MES/NaOH pH 6.0 and 5 mM DTT |
