7UYZ
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-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) | 0.92 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 78.341, 98.515, 142.695 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.850 - 2.490 |
| R-factor | 0.2161 |
| Rwork | 0.214 |
| R-free | 0.25100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4lez |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.401 |
| 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] | 29.970 | 29.970 | 2.590 |
| High resolution limit [Å] | 2.490 | 8.980 | 2.490 |
| Rmerge | 0.135 | 0.077 | 0.761 |
| Rmeas | 0.146 | 0.084 | 0.824 |
| Rpim | 0.056 | 0.033 | 0.311 |
| Total number of observations | 265659 | 5314 | 28527 |
| Number of reflections | 39232 | 922 | 4209 |
| <I/σ(I)> | 8.7 | 18.4 | 2.4 |
| Completeness [%] | 99.4 | 97.4 | 95.5 |
| Redundancy | 6.8 | 5.8 | 6.8 |
| CC(1/2) | 0.995 | 0.993 | 0.813 |
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 |
