6MX3
Crystal structure of human STING (G230A, H232R, R293Q) in complex with Compound 1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-11-10 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.000000 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 70.200, 77.710, 125.410 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.910 - 1.362 |
| R-factor | 0.1883 |
| Rwork | 0.188 |
| R-free | 0.20230 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.020 |
| Data scaling software | Aimless (0.3.6) |
| Phasing software | BUSTER |
| Refinement software | BUSTER (2.11.5) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 62.700 | 1.367 |
| High resolution limit [Å] | 1.362 | 1.362 |
| Rmerge | 0.043 | 0.781 |
| Rmeas | 0.047 | 0.598 |
| Rpim | 0.018 | 0.232 |
| Number of reflections | 73216 | 20564 |
| <I/σ(I)> | 19.7 | 2.2 |
| Completeness [%] | 99.7 | 99.3 |
| Redundancy | 6.5 | 6.6 |
| CC(1/2) | 1.000 | 0.888 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 277 | 33.0 v/v PEG 400 0.1 M Tris hydrochloride pH 8.0 0.2 M calcium chloride |
