7SM1
[T:Hg2+/Hg2+:T--pH 9] 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 | 2021-10-17 |
Detector | DECTRIS EIGER2 X 9M |
Wavelength(s) | 1.00743 |
Spacegroup name | H 3 |
Unit cell lengths | 105.972, 105.972, 93.743 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 41.740 - 3.810 |
R-factor | 0.2586 |
Rwork | 0.256 |
R-free | 0.32360 |
Structure solution method | SAD |
RMSD bond length | 0.006 |
RMSD bond angle | 0.852 |
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] | 52.990 | 4.220 |
High resolution limit [Å] | 3.810 | 3.810 |
Number of reflections | 2617 | 205 |
<I/σ(I)> | 12.8 | |
Completeness [%] | 86.0 | |
Redundancy | 10.6 | |
CC(1/2) | 0.997 | 0.302 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 9 | 293 | Tris, magnesium sulfate, silver nitrate, mercury chloride |