4E5W
JAK1 kinase (JH1 domain) in complex with compound 26
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-04-01 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 43.080, 173.730, 44.450 |
| Unit cell angles | 90.00, 92.59, 90.00 |
Refinement procedure
| Resolution | 43.039 - 1.860 |
| R-factor | 0.1843 |
| Rwork | 0.183 |
| R-free | 0.21010 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.000 |
| Data reduction software | XDS |
| Data scaling software | SCALA (3.3.20) |
| Phasing software | PHASER |
| Refinement software | BUSTER-TNT |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 43.039 | 43.039 | 1.970 |
| High resolution limit [Å] | 1.860 | 5.900 | 1.860 |
| Rmerge | 0.018 | 0.512 | |
| Total number of observations | 7155 | 32621 | |
| Number of reflections | 53895 | ||
| <I/σ(I)> | 15.3 | 32.2 | 1.5 |
| Completeness [%] | 99.6 | 98.8 | 99.3 |
| Redundancy | 4.2 | 4.1 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 277 | 0.1 M MES 25% PEG 6K, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
