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 |
