7UUX
ATP binds 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 | 77.999, 98.192, 143.180 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.550 - 2.260 |
| R-factor | 0.2039 |
| Rwork | 0.201 |
| R-free | 0.23370 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4lez |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.483 |
| 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] | 29.550 | 29.530 | 2.330 |
| High resolution limit [Å] | 2.260 | 9.310 | 2.260 |
| Rmerge | 0.065 | 0.035 | 0.763 |
| Rmeas | 0.070 | 0.038 | 0.824 |
| Rpim | 0.027 | 0.015 | 0.309 |
| Total number of observations | 4849 | 29714 | |
| Number of reflections | 52254 | 828 | 4312 |
| <I/σ(I)> | 15 | 39.6 | 2.5 |
| Completeness [%] | 99.6 | 96.6 | 96 |
| Redundancy | 6.8 | 5.9 | 6.9 |
| CC(1/2) | 0.999 | 0.999 | 0.799 |
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 |
