9D6V
[F:Au+/Ag+:F-pH8] Heterobimetallic base pair with Ag+ and Au+ between a 2-thio-dT homopair, crystallized in the presence of Ag+, Au+ and Cu+
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS-II BEAMLINE 17-ID-1 |
| Synchrotron site | NSLS-II |
| Beamline | 17-ID-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-03-02 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.92012 |
| Spacegroup name | H 3 |
| Unit cell lengths | 105.937, 105.937, 92.751 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 52.970 - 4.870 |
| R-factor | 0.2405 |
| Rwork | 0.238 |
| R-free | 0.26880 |
| Structure solution method | SAD |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.993 |
| Data reduction software | autoPROC |
| Data scaling software | STARANISO |
| Phasing software | AutoSol |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 65.226 | 65.226 | 5.655 |
| High resolution limit [Å] | 4.866 | 10.194 | 4.866 |
| Number of reflections | 2386 | 201 | 200 |
| <I/σ(I)> | 4.6 | 8.9 | 1.6 |
| Completeness [%] | 85.5 | ||
| Redundancy | 4.4 | ||
| CC(1/2) | 0.979 | 0.978 | 0.404 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 100 mM MOPS, 1.25 M magnesium sulfate |
