4IVD
JAK1 kinase (JH1 domain) in complex with compound 34
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2010-08-21 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.795, 173.608, 44.629 |
| Unit cell angles | 90.00, 94.53, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.930 |
| R-factor | 0.20377 |
| Rwork | 0.202 |
| R-free | 0.24696 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4fk6 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.125 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 50.000 |
| High resolution limit [Å] | 1.930 |
| Number of reflections | 48317 |
| <I/σ(I)> | 12 |
| Completeness [%] | 99.6 |
| Redundancy | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 300 | MES/PEG6000, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 300K |
