5WO4
JAK1 complexed with compound 28
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08ID-1 |
| Synchrotron site | CLSI |
| Beamline | 08ID-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-09-30 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.570, 173.360, 44.650 |
| Unit cell angles | 90.00, 93.94, 90.00 |
Refinement procedure
| Resolution | 26.940 - 1.840 |
| R-factor | 0.1876 |
| Rwork | 0.186 |
| R-free | 0.21080 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.010 |
| Data reduction software | XDS |
| Data scaling software | autoPROC |
| Phasing software | autoBUSTER |
| Refinement software | BUSTER (2.11.4) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 173.000 | 1.846 |
| High resolution limit [Å] | 1.840 | 1.840 |
| Rmerge | 0.071 | 0.545 |
| Number of reflections | 55407 | 548 |
| <I/σ(I)> | 11.3 | |
| Completeness [%] | 99.5 | 99.8 |
| Redundancy | 3.7 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 277 | 100 mM MES pH 6.0, 30% (w/v) PEG 6000 |
