7UXW
Structure of ATP and GTP bind to Cyclic GMP AMP synthase (cGAS) through Mg coordination
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 | 2021-10-19 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9793 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 78.929, 98.660, 142.250 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.010 - 2.570 |
| R-factor | 0.1997 |
| Rwork | 0.197 |
| R-free | 0.24800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4lez |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.297 |
| 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] | 29.690 | 29.690 | 2.670 |
| High resolution limit [Å] | 2.560 | 8.870 | 2.560 |
| Rmerge | 0.089 | 0.039 | 0.736 |
| Rmeas | 0.097 | 0.042 | 0.799 |
| Rpim | 0.037 | 0.017 | 0.306 |
| Total number of observations | 241383 | 5709 | 27968 |
| Number of reflections | 36277 | 956 | 4233 |
| <I/σ(I)> | 12.1 | 30 | 2.4 |
| Completeness [%] | 99.5 | 97.2 | 96.3 |
| Redundancy | 6.7 | 6 | 6.6 |
| CC(1/2) | 0.999 | 0.999 | 0.833 |
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 |
