7SDY
[C:Hg2+:U] 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) | 1.00744 |
| Spacegroup name | H 3 |
| Unit cell lengths | 106.630, 106.630, 93.346 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 32.820 - 4.450 |
| R-factor | 0.1766 |
| Rwork | 0.176 |
| R-free | 0.19070 |
| Structure solution method | SAD |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.956 |
| 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] | 65.649 | 65.639 | 5.027 |
| High resolution limit [Å] | 4.449 | 10.326 | 4.449 |
| Number of reflections | 1802 | 200 | 202 |
| <I/σ(I)> | 6.2 | 0.7 | |
| Completeness [%] | 85.4 | 47 | |
| Redundancy | 11.3 | ||
| CC(1/2) | 0.997 | 0.997 | 0.124 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.8 | 293 | MOPS, Magnesium sulfate, Mercury chloride |
