6GLA
Crystal structure of JAK3 in complex with Compound 11 (FM481)
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 | 2016-05-16 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97625 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 41.951, 61.358, 100.434 |
| Unit cell angles | 90.00, 92.37, 90.00 |
Refinement procedure
| Resolution | 52.350 - 1.920 |
| R-factor | 0.22839 |
| Rwork | 0.226 |
| R-free | 0.27339 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5lwm |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.662 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 52.350 | 2.020 |
| High resolution limit [Å] | 1.920 | 1.920 |
| Rmerge | 0.146 | 0.528 |
| Number of reflections | 39077 | 5631 |
| <I/σ(I)> | 4.9 | 2 |
| Completeness [%] | 99.9 | 99.5 |
| Redundancy | 4.1 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277.15 | 24-30% PEG 3350, 0.1 M MES, pH 5.5-6.0 and 0.1-0.2 M MgCl2 |
