8DXC
[C:Hg2+/Ag+:C--pH 7.5] Metal-mediated DNA base pair in tensegrity triangle in Ag+ and Hg2+ solution
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) | 1.00743 |
Spacegroup name | H 3 |
Unit cell lengths | 106.517, 106.517, 90.597 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 40.660 - 5.040 |
R-factor | 0.2621 |
Rwork | 0.259 |
R-free | 0.31820 |
Structure solution method | SAD |
RMSD bond length | 0.007 |
RMSD bond angle | 1.021 |
Data reduction software | autoPROC |
Data scaling software | STARANISO |
Phasing software | AutoSol |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 64.640 | 6.010 |
High resolution limit [Å] | 5.040 | 5.040 |
Number of reflections | 2008 | 404 |
<I/σ(I)> | 4.8 | |
Completeness [%] | 81.0 | |
Redundancy | 7.6 | |
CC(1/2) | 0.997 | 0.640 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 40 mM Tris, 125 mM Magnesium sulfate, 12 uM silver nitrate, 24 uM mercury chloride |