6XF3
Crystal structure of STING in complex with E7766
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-12-02 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97852 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 33.820, 78.110, 132.212 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.460 - 2.380 |
| R-factor | 0.2108 |
| Rwork | 0.208 |
| R-free | 0.26050 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4f9e |
| RMSD bond length | 0.003 |
| RMSD bond angle | 1.260 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.470 |
| High resolution limit [Å] | 2.380 | 2.380 |
| Rmerge | 0.075 | 0.235 |
| Number of reflections | 14725 | 1428 |
| <I/σ(I)> | 24.79 | |
| Completeness [%] | 100.0 | |
| Redundancy | 6.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 0.1M HEPES pH 7.5, 0.2M CaCl2, 15% (w/v) PEG 8000 |
