3ZC6
Crystal structure of JAK3 kinase domain in complex with an indazole substituted pyrrolopyrazine 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 | 2010-08-18 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 57.170, 117.725, 105.831 |
| Unit cell angles | 90.00, 97.66, 90.00 |
Refinement procedure
| Resolution | 104.890 - 2.420 |
| R-factor | 0.1926 |
| Rwork | 0.191 |
| R-free | 0.25385 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.206 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | REFMAC (RIGID BODY) |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 104.890 | 2.510 |
| High resolution limit [Å] | 2.420 | 2.420 |
| Rmerge | 0.080 | 0.420 |
| Number of reflections | 52977 | |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 4.2 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
