7SE0
[iU: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) | 1.00743 |
| Spacegroup name | H 3 |
| Unit cell lengths | 105.606, 105.606, 93.758 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 32.730 - 3.930 |
| R-factor | 0.208 |
| Rwork | 0.207 |
| R-free | 0.22910 |
| Structure solution method | SAD |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.961 |
| 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] | 65.368 | 65.468 | 4.305 |
| High resolution limit [Å] | 3.910 | 10.381 | 3.910 |
| Number of reflections | 2530 | 195 | 199 |
| <I/σ(I)> | 6.5 | 0.8 | |
| Completeness [%] | 86.7 | 48.6 | |
| Redundancy | 11.4 | ||
| CC(1/2) | 0.982 | 0.979 | 0.172 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 293 | MOPS, Magnesium sulfate, Mercury chloride |
