7SDZ
[iU:Hg2+: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 | 2020-10-24 |
| Detector | DECTRIS EIGER2 XE 9M |
| Wavelength(s) | 1.00744 |
| Spacegroup name | H 3 |
| Unit cell lengths | 105.839, 105.839, 93.477 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 32.720 - 4.510 |
| R-factor | 0.1673 |
| Rwork | 0.166 |
| R-free | 0.19720 |
| Structure solution method | SAD |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.047 |
| 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] | 65.446 | 65.336 | 5.173 |
| High resolution limit [Å] | 4.510 | 10.192 | 4.514 |
| Number of reflections | 1628 | 202 | 205 |
| <I/σ(I)> | 8.8 | 0.8 | |
| Completeness [%] | 84.9 | 49.6 | |
| Redundancy | 11.3 | ||
| CC(1/2) | 0.997 | 0.997 | 0.246 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 293 | MOPS, Magnesium sulfate, Mercury chloride |
