8VH6
[F:3Au+:F] Metal-mediated DNA base pair with 2-thio-thymidine in tensegrity triangle
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS-II BEAMLINE 17-ID-2 |
| Synchrotron site | NSLS-II |
| Beamline | 17-ID-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-11-04 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 1.007428 |
| Spacegroup name | H 3 |
| Unit cell lengths | 107.404, 107.404, 90.715 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.310 - 5.860 |
| R-factor | 0.1502 |
| Rwork | 0.147 |
| R-free | 0.18190 |
| 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 (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.310 | 6.990 |
| High resolution limit [Å] | 5.860 | 5.860 |
| Number of reflections | 1532 | 382 |
| <I/σ(I)> | 4.5 | |
| Completeness [%] | 83.4 | |
| Redundancy | 5.6 | |
| CC(1/2) | 0.989 | 0.581 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 100 mM MOPS, 1.25 M magnesium sulfate |
