7SDS
[C:Ag+:T] 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 | 106.361, 106.361, 92.685 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 32.670 - 3.700 |
| R-factor | 0.2603 |
| Rwork | 0.259 |
| R-free | 0.28810 |
| Structure solution method | SAD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.988 |
| 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] | 65.334 | 65.334 | 4.157 |
| High resolution limit [Å] | 3.700 | 9.968 | 3.701 |
| Number of reflections | 2690 | 208 | 209 |
| <I/σ(I)> | 9.6 | 0.7 | |
| Completeness [%] | 84.1 | 41.6 | |
| Redundancy | 10.4 | ||
| CC(1/2) | 0.987 | 0.992 | 0.137 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 293 | MOPS, Magnesium sulfate, Silver nitrate |
