8DX6
[C:Hg2+/Ag+:C--pH 5.5] Metal-mediated DNA base pair in tensegrity triangle in Ag+ and Hg2+ solution
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 | 2021-12-13 |
| Detector | DECTRIS EIGER2 X 9M |
| Wavelength(s) | 1.00743 |
| Spacegroup name | H 3 |
| Unit cell lengths | 107.801, 107.801, 90.309 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 32.870 - 5.340 |
| R-factor | 0.1955 |
| Rwork | 0.194 |
| R-free | 0.26080 |
| Structure solution method | SAD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.059 |
| 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] | 64.910 | 6.170 |
| High resolution limit [Å] | 5.310 | 5.310 |
| Number of reflections | 2184 | 438 |
| <I/σ(I)> | 10.5 | |
| Completeness [%] | 85.6 | |
| Redundancy | 10.6 | |
| CC(1/2) | 1.000 | 0.127 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 298 | 40 mM Tris, 125 mM Magnesium sulfate, 12 uM silver nitrate, 24 uM mercury chloride |
