7SD8
[U: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) | 1.00743 |
Spacegroup name | H 3 |
Unit cell lengths | 106.284, 106.284, 93.516 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 32.800 - 2.940 |
R-factor | 0.204 |
Rwork | 0.203 |
R-free | 0.21690 |
Structure solution method | SAD |
RMSD bond length | 0.009 |
RMSD bond angle | 1.090 |
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] | 65.599 | 65.599 | 3.280 |
High resolution limit [Å] | 2.940 | 9.702 | 2.940 |
Number of reflections | 4559 | 228 | 229 |
<I/σ(I)> | 12.1 | 38.3 | 1.3 |
Completeness [%] | 74.1 | 99.6 | |
Redundancy | 11.2 | 9.6 | 9.6 |
CC(1/2) | 0.996 | 0.994 | 0.734 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 293 | MOPS, Magnesium sulfate, Mercury chloride |