7UYQ
Structure of GTP 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 | 77.745, 99.578, 142.001 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.920 - 2.570 |
R-factor | 0.1979 |
Rwork | 0.196 |
R-free | 0.24150 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4lez |
RMSD bond length | 0.011 |
RMSD bond angle | 1.325 |
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] | 28.920 | 28.910 | 2.680 |
High resolution limit [Å] | 2.570 | 8.900 | 2.570 |
Rmerge | 0.090 | 0.042 | 0.810 |
Rmeas | 0.098 | 0.046 | 0.878 |
Rpim | 0.038 | 0.018 | 0.335 |
Total number of observations | 5650 | 27287 | |
Number of reflections | 35696 | 946 | 4139 |
<I/σ(I)> | 12.8 | 31.4 | 2.4 |
Completeness [%] | 99.4 | 97.2 | 95.9 |
Redundancy | 6.7 | 6 | 6.6 |
CC(1/2) | 0.998 | 0.997 | 0.760 |
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 |