6XNN
Crystal Structure of Mouse STING CTD complex with SR-717.
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 | 2019-03-18 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 65.680, 65.680, 172.577 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.440 - 2.490 |
| R-factor | 0.2247 |
| Rwork | 0.222 |
| R-free | 0.27050 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4loj |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.470 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 46.490 | 46.440 | 2.590 |
| High resolution limit [Å] | 2.490 | 8.970 | 2.490 |
| Rmerge | 0.077 | 0.028 | 0.679 |
| Rmeas | 0.082 | 0.031 | 0.722 |
| Rpim | 0.028 | 0.011 | 0.239 |
| Total number of observations | 2374 | 12844 | |
| Number of reflections | 13976 | 360 | 1495 |
| <I/σ(I)> | 20.2 | 51.9 | 3.4 |
| Completeness [%] | 99.6 | 97.7 | 97.3 |
| Redundancy | 8.4 | 6.6 | 8.6 |
| CC(1/2) | 0.999 | 0.999 | 0.869 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH MODE | 297 | PEG3350, calcium chloride |
