7SDF
[C: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) | 1.00743 |
Spacegroup name | H 3 |
Unit cell lengths | 106.173, 106.173, 92.653 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 32.630 - 3.460 |
R-factor | 0.1739 |
Rwork | 0.172 |
R-free | 0.21850 |
Structure solution method | SAD |
RMSD bond length | 0.006 |
RMSD bond angle | 0.906 |
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] | 65.265 | 65.265 | 3.792 |
High resolution limit [Å] | 3.460 | 10.107 | 3.460 |
Number of reflections | 3296 | 205 | 204 |
<I/σ(I)> | 12.9 | 41.7 | 1 |
Completeness [%] | 87.0 | 100 | 44.7 |
Redundancy | 10.7 | 11 | 10.8 |
CC(1/2) | 0.999 | 0.999 | 0.467 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 293 | MOPS, Magnesium sulfate, Silver nitrate |