4HVH
JAK3 kinase domain in complex with 2-Cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid ((R)-2-hydroxy-1,2-dimethyl-propyl
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL11-1 |
| Synchrotron site | SSRL |
| Beamline | BL11-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97946 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 46.749, 75.540, 89.217 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.310 - 2.300 |
| R-factor | 0.23004 |
| Rwork | 0.227 |
| R-free | 0.28289 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 4hvd |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.061 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | REFMAC |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.590 | 2.360 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Number of reflections | 12593 | |
| <I/σ(I)> | 13.4 | 1.7 |
| Completeness [%] | 90.7 | 72.3 |
| Redundancy | 4.5 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | 30% PEG3350, 0.1M MES, 0.2M MgCl, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
