7V0R
Structure of Ternary Complex of cGAS with dsDNA and Bound 5 -ppcpG(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 | 2021-07-18 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.91997 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 78.112, 98.446, 142.598 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.610 - 2.510 |
| R-factor | 0.2133 |
| Rwork | 0.211 |
| R-free | 0.24990 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4lez |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.410 |
| 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] | 29.610 | 29.600 | 2.610 |
| High resolution limit [Å] | 2.500 | 9.030 | 2.500 |
| Rmerge | 0.092 | 0.042 | 0.862 |
| Rmeas | 0.100 | 0.046 | 0.933 |
| Rpim | 0.038 | 0.018 | 0.353 |
| Total number of observations | 5273 | 28485 | |
| Number of reflections | 38473 | 900 | 4184 |
| <I/σ(I)> | 12.2 | 30.6 | 2.2 |
| Completeness [%] | 99.7 | 97 | 97.7 |
| Redundancy | 6.7 | 5.9 | 6.8 |
| CC(1/2) | 0.998 | 0.997 | 0.756 |
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 |
