8DX1
[C:Hg2+/Ag+:C--pH 7 MOPS] Metal-mediated DNA base pair in tensegrity triangle in Ag+ and Hg2+ solution in MOPS
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-11-14 |
| Detector | DECTRIS EIGER2 X 9M |
| Wavelength(s) | 1.00743 |
| Spacegroup name | H 3 |
| Unit cell lengths | 106.180, 106.180, 88.077 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 39.720 - 4.790 |
| R-factor | 0.2476 |
| Rwork | 0.245 |
| R-free | 0.28920 |
| Structure solution method | SAD |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.496 |
| Data reduction software | autoPROC |
| Data scaling software | STARANISO |
| Phasing software | AutoSol |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 53.090 | 5.640 |
| High resolution limit [Å] | 4.790 | 4.790 |
| Number of reflections | 2404 | 398 |
| <I/σ(I)> | 9.1 | |
| Completeness [%] | 84.1 | |
| Redundancy | 10.4 | |
| CC(1/2) | 0.939 | 0.500 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 10 mM MOPS, 125 mM magnesium sulfate, 12 uM silver nitrate, 24 uM mercury chloride |
