7V0C
Structure of Ternary Complex of cGAS with dsDNA and Bound 5 -pppG(2 ,5 )pG
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS-II BEAMLINE 17-ID-2 |
| Synchrotron site | NSLS-II |
| Beamline | 17-ID-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-10-19 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.979338 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 78.193, 98.831, 142.619 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.990 - 2.570 |
| R-factor | 0.2061 |
| Rwork | 0.204 |
| R-free | 0.24020 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4lez |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.215 |
| 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] | 29.990 | 29.980 | 2.680 |
| High resolution limit [Å] | 2.560 | 8.880 | 2.560 |
| Rmerge | 0.080 | 0.040 | 0.687 |
| Rmeas | 0.087 | 0.044 | 0.745 |
| Rpim | 0.034 | 0.017 | 0.285 |
| Total number of observations | 5657 | 26001 | |
| Number of reflections | 35871 | 960 | 3987 |
| <I/σ(I)> | 13.9 | 32.6 | 2.7 |
| Completeness [%] | 98.9 | 97.4 | 91.3 |
| Redundancy | 6.6 | 5.9 | 6.5 |
| CC(1/2) | 0.999 | 0.999 | 0.837 |
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 |
