6ELR
Human jak1 kinase domain in complex with compound 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 | 2010-08-16 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.999 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.991, 174.093, 44.968 |
| Unit cell angles | 90.00, 94.37, 90.00 |
Refinement procedure
| Resolution | 28.180 - 1.800 |
| R-factor | 0.182 |
| Rwork | 0.181 |
| R-free | 0.20500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.000 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | BUSTER (2.11.6) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.180 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.093 | 0.682 |
| Number of reflections | 58229 | 8350 |
| <I/σ(I)> | 10.7 | 1.6 |
| Completeness [%] | 96.2 | 94.9 |
| Redundancy | 2.7 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 282 | 2mM ligand, 27% (m/v) PEG6000, 0.1 M MES/NaOH pH 6.0, 5 mM DTT |
