7SDM
[U: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 | 2020-10-24 |
| Detector | DECTRIS EIGER2 X 9M |
| Wavelength(s) | 1.65313 |
| Spacegroup name | H 3 |
| Unit cell lengths | 106.083, 106.083, 94.123 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 41.280 - 4.010 |
| R-factor | 0.2162 |
| Rwork | 0.215 |
| R-free | 0.23940 |
| Structure solution method | SAD |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.969 |
| 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] | 65.744 | 65.744 | 4.463 |
| High resolution limit [Å] | 4.010 | 10.208 | 4.011 |
| Number of reflections | 2410 | 201 | 202 |
| <I/σ(I)> | 8.2 | 25.2 | 0.8 |
| Completeness [%] | 84.7 | ||
| Redundancy | 10.3 | 10.7 | |
| CC(1/2) | 0.960 | 0.946 | 0.312 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 293 | MOPS, Magnesium sulfate, Silver nitrate |
