8SHK
Structure of binary complex of mouse cGAS and bound ATP
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 | 2021-12-13 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.9201 |
Spacegroup name | I 1 2 1 |
Unit cell lengths | 88.112, 61.231, 105.727 |
Unit cell angles | 90.00, 94.36, 90.00 |
Refinement procedure
Resolution | 28.790 - 1.710 |
R-factor | 0.195 |
Rwork | 0.193 |
R-free | 0.22800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4lez |
RMSD bond length | 0.007 |
RMSD bond angle | 0.852 |
Data reduction software | XDS (20210205) |
Data scaling software | Aimless (0.7.7) |
Phasing software | MOLREP (11.7.03) |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 28.790 | 1.740 |
High resolution limit [Å] | 1.710 | 1.710 |
Rmerge | 0.067 | 0.817 |
Rmeas | 0.080 | 0.974 |
Rpim | 0.042 | 0.526 |
Total number of observations | 210242 | 10278 |
Number of reflections | 60461 | 3113 |
<I/σ(I)> | 10.6 | 1.6 |
Completeness [%] | 99.1 | |
Redundancy | 3.5 | 3.3 |
CC(1/2) | 0.996 | 0.637 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277.15 | 0.2 M magnesium acetate tetrahydrate, 0.1 M sodium cacodylate trihydrate, pH 6.5, 20% w/v PEG8000 |