3Q32
Structure of Janus kinase 2 with a pyrrolotriazine inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08ID-1 |
| Synchrotron site | CLSI |
| Beamline | 08ID-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-06-12 |
| Detector | RAYONIX MX-300 |
| Spacegroup name | P 41 |
| Unit cell lengths | 110.590, 110.590, 69.960 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.460 - 2.500 |
| R-factor | 0.1785 |
| Rwork | 0.178 |
| R-free | 0.20970 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.210 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.9.7) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.078 | 0.554 |
| Number of reflections | 29557 | |
| <I/σ(I)> | 19 | 3 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 4.9 | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 35% PEG3350, 0.1 M sodium chloride, 0.1 M MES, pH 6.5 |
