8EAE
Structure of Ternary Complex of cGAS with dsDNA and Bound 5-pppG(2,5)pI
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS-II BEAMLINE 17-ID-1 |
| Synchrotron site | NSLS-II |
| Beamline | 17-ID-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-07-25 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.920119 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 77.428, 99.322, 141.723 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.860 - 2.560 |
| R-factor | 0.1967 |
| Rwork | 0.195 |
| R-free | 0.23290 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7uux |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.334 |
| Data reduction software | XDS (20210205) |
| Data scaling software | Aimless (0.7.8) |
| Phasing software | MOLREP (11.7.03) |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 29.760 | 29.760 | 2.670 |
| High resolution limit [Å] | 2.560 | 8.850 | 2.560 |
| Rmerge | 0.089 | 0.042 | 0.628 |
| Rmeas | 0.099 | 0.046 | 0.695 |
| Rpim | 0.041 | 0.020 | 0.293 |
| Total number of observations | 201302 | 4866 | 22491 |
| Number of reflections | 35867 | 948 | 4112 |
| <I/σ(I)> | 11.5 | 27.2 | 2.5 |
| Completeness [%] | 99.2 | 96.8 | 94.2 |
| Redundancy | 5.6 | 5.1 | 5.5 |
| CC(1/2) | 0.998 | 0.998 | 0.811 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277.15 | 0.2 M ammonium acetate, 32% MPD, with 0.1 M Bis-Tris pH 6.5 |
