7SDT
[iU:Ag+:S] Metal-mediated DNA base pair in a self-assembling rhombohedral lattice
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 | 2020-11-14 |
| Detector | DECTRIS EIGER2 X 9M |
| Wavelength(s) | 1.65313 |
| Spacegroup name | H 3 |
| Unit cell lengths | 105.881, 105.881, 94.823 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 42.110 - 4.000 |
| R-factor | 0.1963 |
| Rwork | 0.196 |
| R-free | 0.21210 |
| Structure solution method | SAD |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.784 |
| Data reduction software | autoPROC |
| Data scaling software | STARANISO |
| Phasing software | AutoSol |
| Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 65.916 | 65.916 | 4.290 |
| High resolution limit [Å] | 4.000 | 10.081 | 4.000 |
| Rpim | 4.493 | ||
| Number of reflections | 2298 | 209 | 208 |
| <I/σ(I)> | 4.7 | 0.6 | |
| Completeness [%] | 90.1 | 77.1 | |
| Redundancy | 9.7 | ||
| CC(1/2) | 0.997 | 0.997 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 293 | MOPS, Magnesium sulfate, Silver nitrate |
