7UK0
[T:Au+:T--pH 11 w/ HgCl2] Metal-mediated DNA base pair in tensegrity triangle
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2022-03-25 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.02466, 1.00743 |
| Spacegroup name | H 3 |
| Unit cell lengths | 106.855, 106.855, 88.652 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 41.020 - 4.360 |
| R-factor | 0.2437 |
| Rwork | 0.242 |
| R-free | 0.27500 |
| Structure solution method | MAD |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.916 |
| 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] | 64.020 | 4.940 |
| High resolution limit [Å] | 4.360 | 4.360 |
| Number of reflections | 3292 | 412 |
| <I/σ(I)> | 4.2 | |
| Completeness [%] | 85.3 | |
| Redundancy | 5.1 | |
| CC(1/2) | 0.996 | 0.264 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 11 | 293 | 400 mM Tris, 1.25 M magnesium sulfate, 72 uM mercury(II) chloride, 36 uM gold(I) phosphine |
