4ZIM
CRYSTAL STRUCTURE OF JANUS KINASE 2 IN COMPLEX WITH A 9H-CARBAZOLE-1-CARBOXAMIDE INHIBITOR
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2008-06-30 |
| Detector | RIGAKU |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 41 |
| Unit cell lengths | 112.390, 112.390, 70.810 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.460 - 2.650 |
| R-factor | 0.2037 |
| Rwork | 0.202 |
| R-free | 0.27420 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.160 |
| Data reduction software | DENZO ((DENZO)) |
| Data scaling software | SCALEPACK ((SCALEPACK)) |
| Refinement software | BUSTER (2.11.6) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.740 |
| High resolution limit [Å] | 2.650 | 2.650 |
| Rmerge | 0.122 | 0.616 |
| Number of reflections | 25927 | |
| <I/σ(I)> | 17.2 | 3.6 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7.5 | 7.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 295 | 100mM MES buffer, 100mM NaCl, 28% (w/v) PEG3350, 2mM DTT and 200mM tri-sodium citrate |
