4QPS
Crystal structure of Jak3 complexed to N-[3-(6-Phenylamino-pyrazin-2-yl)-3H-benzoimidazol-5-yl]-acrylamide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 200 |
Detector technology | CCD |
Collection date | 2009-02-23 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1.00 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 79.511, 43.877, 81.695 |
Unit cell angles | 90.00, 115.26, 90.00 |
Refinement procedure
Resolution | 39.670 - 1.800 |
R-factor | 0.2097 |
Rwork | 0.207 |
R-free | 0.25090 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.040 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | BUSTER (2.9.7) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.860 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.250 | |
Number of reflections | 47056 | |
<I/σ(I)> | 5 | |
Redundancy | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 5.5 | 291 | 25% PEG-3350, 0.2 M ammonium sulfate and 0.1 M BisTRIS pH 5.5, VAPOR DIFFUSION, temperature 291K |