8DX6
[C:Hg2+/Ag+:C--pH 5.5] 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 | 2021-12-13 |
Detector | DECTRIS EIGER2 X 9M |
Wavelength(s) | 1.00743 |
Spacegroup name | H 3 |
Unit cell lengths | 107.801, 107.801, 90.309 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 32.870 - 5.340 |
R-factor | 0.1955 |
Rwork | 0.194 |
R-free | 0.26080 |
Structure solution method | SAD |
RMSD bond length | 0.008 |
RMSD bond angle | 1.059 |
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] | 64.910 | 6.170 |
High resolution limit [Å] | 5.310 | 5.310 |
Number of reflections | 2184 | 438 |
<I/σ(I)> | 10.5 | |
Completeness [%] | 85.6 | |
Redundancy | 10.6 | |
CC(1/2) | 1.000 | 0.127 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 298 | 40 mM Tris, 125 mM Magnesium sulfate, 12 uM silver nitrate, 24 uM mercury chloride |