8P01
Crystal structure of human STING ectodomain in complex with BI 7446, a potent cyclic dinucleotide STING agonist with broad-spectrum variant activity for the treatment of cancer
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-08-30 |
| Detector | DECTRIS PILATUS 300K |
| Wavelength(s) | 1.000000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 89.698, 77.593, 35.975 |
| Unit cell angles | 90.00, 98.08, 90.00 |
Refinement procedure
| Resolution | 58.430 - 2.094 |
| R-factor | 0.2411 |
| Rwork | 0.240 |
| R-free | 0.26230 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.890 |
| Data reduction software | autoPROC |
| Data scaling software | autoPROC (1.1.7) |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.8) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 58.430 | 2.332 |
| High resolution limit [Å] | 2.094 | 2.094 |
| Rmerge | 0.051 | 1.288 |
| Number of reflections | 9077 | 452 |
| <I/σ(I)> | 17.2 | 1.3 |
| Completeness [%] | 62.8 | 11.4 |
| Redundancy | 5.4 | 6.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 20% polyethelene glycol 3350, 200mM tri-sodium citrate |
