8G23
Structure of Ternary Complex of cGAS with dsDNA and Bound pppIpA
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) | 0.979 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 77.720, 98.893, 142.136 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.680 - 2.710 |
R-factor | 0.1944 |
Rwork | 0.190 |
R-free | 0.24800 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.106 |
Data reduction software | XDS (20210205) |
Data scaling software | Aimless (0.7.7) |
Phasing software | MOLREP (11.7.03) |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.680 | 2.840 |
High resolution limit [Å] | 2.700 | 2.700 |
Rmerge | 0.096 | 0.779 |
Rmeas | 0.106 | 0.861 |
Rpim | 0.045 | 0.362 |
Total number of observations | 163259 | 20398 |
Number of reflections | 30386 | 3771 |
<I/σ(I)> | 10.7 | 2.1 |
Completeness [%] | 99.0 | |
Redundancy | 5.4 | 5.4 |
CC(1/2) | 0.998 | 0.740 |
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 |