7SDG
[C:Ag+:C] 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) | 1.00743 |
| Spacegroup name | H 3 |
| Unit cell lengths | 105.984, 105.984, 90.264 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 32.380 - 3.630 |
| R-factor | 0.1888 |
| Rwork | 0.188 |
| R-free | 0.20700 |
| Structure solution method | SAD |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.232 |
| 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] | 64.357 | 64.357 | 4.056 |
| High resolution limit [Å] | 3.627 | 10.066 | 3.627 |
| Number of reflections | 2608 | 200 | 199 |
| <I/σ(I)> | 9.5 | 27.4 | 0.6 |
| Completeness [%] | 84.7 | 100 | 44 |
| Redundancy | 10.8 | 11.6 | 10.2 |
| CC(1/2) | 1.000 | 1.000 | 0.082 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 293 | MOPS, Magnesium sulfate, Silver nitrate |
