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 |