8G2P
Structure of Ternary Complex of cGAS with dsDNA and Bound ATP and GTP
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 | 2022-03-30 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.979 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 78.219, 99.102, 141.944 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.773 - 2.521 |
Rwork | 0.190 |
R-free | 0.24190 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.012 |
RMSD bond angle | 1.868 |
Data reduction software | XDS (20210205) |
Data scaling software | Aimless (0.7.7) |
Phasing software | MOLREP (11.7.03) |
Refinement software | REFMAC (5.8.0403) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.780 | 29.760 | 2.620 |
High resolution limit [Å] | 2.520 | 9.090 | 2.520 |
Rmerge | 0.071 | 0.027 | 0.696 |
Rmeas | 0.083 | 0.032 | 0.820 |
Rpim | 0.044 | 0.017 | 0.429 |
Number of reflections | 37823 | 871 | 4211 |
<I/σ(I)> | 14.7 | ||
Completeness [%] | 99.5 | ||
Redundancy | 6.7 | 6 | 6.7 |
CC(1/2) | 0.999 | 0.999 | 0.785 |
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 |