7SDT
[iU:Ag+:S] Metal-mediated DNA base pair in a self-assembling rhombohedral lattice
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 | 2020-11-14 |
Detector | DECTRIS EIGER2 X 9M |
Wavelength(s) | 1.65313 |
Spacegroup name | H 3 |
Unit cell lengths | 105.881, 105.881, 94.823 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 42.110 - 4.000 |
R-factor | 0.1963 |
Rwork | 0.196 |
R-free | 0.21210 |
Structure solution method | SAD |
RMSD bond length | 0.005 |
RMSD bond angle | 0.784 |
Data reduction software | autoPROC |
Data scaling software | STARANISO |
Phasing software | AutoSol |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 65.916 | 65.916 | 4.290 |
High resolution limit [Å] | 4.000 | 10.081 | 4.000 |
Rpim | 4.493 | ||
Number of reflections | 2298 | 209 | 208 |
<I/σ(I)> | 4.7 | 0.6 | |
Completeness [%] | 90.1 | 77.1 | |
Redundancy | 9.7 | ||
CC(1/2) | 0.997 | 0.997 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 293 | MOPS, Magnesium sulfate, Silver nitrate |