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 |