3ZEP
Crystal Structure of JAK3 Kinase Domain in Complex with a Pyrrolopyrazine-2-phenyl Ether Inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2011-02-16 |
Detector | DECTRIS PILATUS 6M |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 57.554, 114.076, 104.196 |
Unit cell angles | 90.00, 96.82, 90.00 |
Refinement procedure
Resolution | 103.700 - 2.350 |
R-factor | 0.22627 |
Rwork | 0.226 |
R-free | 0.26484 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.098 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | REFMAC (RIGID BODY) |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 103.690 | 2.540 |
High resolution limit [Å] | 2.350 | 2.350 |
Rmerge | 0.100 | 0.450 |
Number of reflections | 55677 | |
<I/σ(I)> | 6.9 | 1.7 |
Completeness [%] | 97.1 | 94.3 |
Redundancy | 2.9 | 2.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 |