8EAE
Structure of Ternary Complex of cGAS with dsDNA and Bound 5-pppG(2,5)pI
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 | 2022-07-25 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.920119 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 77.428, 99.322, 141.723 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.860 - 2.560 |
R-factor | 0.1967 |
Rwork | 0.195 |
R-free | 0.23290 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7uux |
RMSD bond length | 0.011 |
RMSD bond angle | 1.334 |
Data reduction software | XDS (20210205) |
Data scaling software | Aimless (0.7.8) |
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 | 2.670 |
High resolution limit [Å] | 2.560 | 8.850 | 2.560 |
Rmerge | 0.089 | 0.042 | 0.628 |
Rmeas | 0.099 | 0.046 | 0.695 |
Rpim | 0.041 | 0.020 | 0.293 |
Total number of observations | 201302 | 4866 | 22491 |
Number of reflections | 35867 | 948 | 4112 |
<I/σ(I)> | 11.5 | 27.2 | 2.5 |
Completeness [%] | 99.2 | 96.8 | 94.2 |
Redundancy | 5.6 | 5.1 | 5.5 |
CC(1/2) | 0.998 | 0.998 | 0.811 |
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 |