7SDU
[iU:Ag+:mC] 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 | 2020-10-24 |
| Detector | DECTRIS EIGER2 X 9M |
| Wavelength(s) | 1.65313 |
| Spacegroup name | H 3 |
| Unit cell lengths | 105.102, 105.102, 93.232 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 41.490 - 4.330 |
| R-factor | 0.2985 |
| Rwork | 0.296 |
| R-free | 0.32270 |
| Structure solution method | SAD |
| RMSD bond length | 0.024 |
| RMSD bond angle | 1.325 |
| Data reduction software | autoPROC |
| Data scaling software | STARANISO |
| Phasing software | AutoSol |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 41.491 | 41.491 | 4.860 |
| High resolution limit [Å] | 4.330 | 10.376 | 4.330 |
| Number of reflections | 1705 | 189 | 189 |
| <I/σ(I)> | 7.5 | 0.9 | |
| Completeness [%] | 86.2 | 58 | |
| Redundancy | 10.1 | ||
| CC(1/2) | 0.997 | 0.997 | 0.114 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 293 | MOPS, Magnesium sulfate, Silver nitrate |
