6SM8
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 | 2011-09-01 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.99999 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 43.194, 174.065, 44.956 |
| Unit cell angles | 90.00, 94.16, 90.00 |
Refinement procedure
| Resolution | 35.480 - 1.850 |
| R-factor | 0.213 |
| Rwork | 0.212 |
| R-free | 0.24100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.020 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | AMoRE |
| Refinement software | BUSTER (2.11.7) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 87.040 | 1.950 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.046 | 0.448 |
| Number of reflections | 56206 | 8095 |
| <I/σ(I)> | 18.76 | |
| Completeness [%] | 99.8 | 99.4 |
| Redundancy | 4.2 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 277 | 27% (m/v) PEG6000, 0.1 M MES/NaOH pH 6.0 and 5 mM DTT |
