5LWN
Crystal structure of JAK3 in complex with Compound 5 (FM409)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-01-27 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97949 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.049, 62.570, 51.080 |
| Unit cell angles | 90.00, 92.55, 90.00 |
Refinement procedure
| Resolution | 51.030 - 1.600 |
| R-factor | 0.16874 |
| Rwork | 0.166 |
| R-free | 0.20931 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.616 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0131) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 62.570 | 1.690 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.082 | 0.680 |
| Number of reflections | 35006 | |
| <I/σ(I)> | 9.9 | 2.2 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 6 | 6 |
| CC(1/2) | 0.998 | 0.873 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277.15 | 18-25% PEG 3350, 0.1-0.2 M MgCl2 and 0.1 M MES, pH 5.5-6.1 |
