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 |