5LWM
Crystal structure of JAK3 in complex with Compound 4 (FM381)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-01-17 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.97949 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.029, 62.450, 51.270 |
| Unit cell angles | 90.00, 92.88, 90.00 |
Refinement procedure
| Resolution | 39.600 - 1.550 |
| R-factor | 0.16557 |
| Rwork | 0.163 |
| R-free | 0.20443 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.622 |
| 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] | 39.600 | 1.630 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Rmerge | 0.073 | 0.722 |
| Number of reflections | 38357 | |
| <I/σ(I)> | 11.3 | 2.7 |
| Completeness [%] | 99.7 | 99.4 |
| Redundancy | 5.9 | 5.6 |
| CC(1/2) | 0.998 | 0.773 |
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 |
