9CKD
[FF-3Ag] Tensegrity triangle with a 2-thiothymidine:2-thiothymidine metal base pair with three Ag+ ions in R3 symmetry
This is a non-PDB format compatible entry.
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 | 2021-12-12 |
| Detector | DECTRIS EIGER2 X 9M |
| Wavelength(s) | 1.007 |
| Spacegroup name | H 3 |
| Unit cell lengths | 106.399, 106.399, 89.818 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 32.470 - 3.980 |
| R-factor | 0.2306 |
| Rwork | 0.226 |
| R-free | 0.31250 |
| Structure solution method | SAD |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.938 |
| 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] | 64.318 | 64.318 | 4.291 |
| High resolution limit [Å] | 3.975 | 10.140 | 3.975 |
| Number of reflections | 4678 | 196 | 197 |
| <I/σ(I)> | 10 | ||
| Completeness [%] | 89.2 | ||
| Redundancy | 10.6 | 10.9 | 10.6 |
| CC(1/2) | 1.000 | 1.000 | 0.191 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 100 mM MOPS, 1.25 M magnesium sulfate |
