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 |