7V0W
Structure of Ternary Complex of cGAS with dsDNA and Bound 5 -pppG(2,5 )pA
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 | 2021-12-13 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 1.8785 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 78.475, 99.474, 142.088 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.910 - 2.660 |
| R-factor | 0.201 |
| Rwork | 0.199 |
| R-free | 0.23840 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4lez |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.415 |
| Data reduction software | XDS (20210205) |
| Data scaling software | Aimless (0.7.7) |
| Phasing software | MOLREP (11.7.03) |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 28.910 | 28.910 | 2.790 |
| High resolution limit [Å] | 2.660 | 8.810 | 2.660 |
| Rmerge | 0.088 | 0.067 | 0.628 |
| Rmeas | 0.096 | 0.074 | 0.684 |
| Rpim | 0.038 | 0.031 | 0.267 |
| Total number of observations | 212442 | 6121 | 26466 |
| Number of reflections | 32675 | 981 | 4206 |
| <I/σ(I)> | 11.6 | 24.2 | 2.5 |
| Completeness [%] | 99.5 | 97.1 | 97.8 |
| Redundancy | 6.5 | 6.2 | 6.3 |
| CC(1/2) | 0.994 | 0.993 | 0.865 |
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 |
