7UZR
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 | 78.534, 99.000, 143.091 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.010 - 2.700 |
| R-factor | 0.1922 |
| Rwork | 0.189 |
| R-free | 0.24470 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4lez |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.494 |
| 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] | 29.760 | 29.760 | 2.830 |
| High resolution limit [Å] | 2.700 | 8.940 | 2.700 |
| Rmerge | 0.114 | 0.039 | 0.913 |
| Rmeas | 0.123 | 0.043 | 0.993 |
| Rpim | 0.048 | 0.017 | 0.387 |
| Total number of observations | 206002 | 5544 | 24008 |
| Number of reflections | 31191 | 941 | 3803 |
| <I/σ(I)> | 10.6 | 28.6 | 2 |
| Completeness [%] | 98.9 | 97.3 | 92.6 |
| Redundancy | 6.6 | 5.9 | 6.3 |
| CC(1/2) | 0.998 | 0.998 | 0.723 |
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 |
