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 |