8ECC
Structure of Ternary Complex of cGAS with dsDNA and Bound 5-pppI(2,5)pA
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 | 2022-08-12 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.979307 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 77.045, 98.534, 141.706 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 80.900 - 2.440 |
| R-factor | 0.2239 |
| Rwork | 0.222 |
| R-free | 0.25860 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7uux |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.164 |
| Data reduction software | XDS (20210205) |
| Data scaling software | Aimless (0.7.9) |
| Phasing software | MOLREP (11.7.03) |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 80.900 | 80.900 | 2.530 |
| High resolution limit [Å] | 2.440 | 9.120 | 2.440 |
| Rmerge | 0.067 | 0.016 | 0.604 |
| Rmeas | 0.095 | 0.022 | 0.854 |
| Rpim | 0.067 | 0.016 | 0.604 |
| Total number of observations | 64682 | 1476 | 1018 |
| Number of reflections | 34204 | 877 | 521 |
| <I/σ(I)> | 8.9 | 23.7 | 1.3 |
| Completeness [%] | 83.2 | 99.3 | 12.4 |
| Redundancy | 1.9 | 1.7 | 2 |
| CC(1/2) | 0.996 | 0.999 | 0.462 |
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 |
