7SD6
[T:Hg2+:T] 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 | 2020-10-24 |
Detector | DECTRIS EIGER2 X 9M |
Wavelength(s) | 1.00866 |
Spacegroup name | H 3 |
Unit cell lengths | 106.625, 106.625, 92.368 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 32.650 - 3.530 |
R-factor | 0.2056 |
Rwork | 0.204 |
R-free | 0.24490 |
Structure solution method | SAD |
RMSD bond length | 0.008 |
RMSD bond angle | 1.058 |
Data reduction software | autoPROC |
Data scaling software | STARANISO |
Phasing software | AutoSol |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 65.304 | 65.304 | 4.011 |
High resolution limit [Å] | 3.526 | 10.324 | 3.526 |
Number of reflections | 2951 | 195 | 197 |
<I/σ(I)> | 12.3 | ||
Completeness [%] | 80.1 | ||
Redundancy | 11.4 | ||
CC(1/2) | 0.994 | 0.993 | 0.519 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 293 | MOPS, Magnesium sulfate, Mercury chloride |