8OEB
Crystal structure of the Z-DNA duplex d(CGCGCG) containing ordered copper(II) and soaked in hydrogen peroxide for 30 minutes, second collection at room temperature
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | RIGAKU PhotonJet-S |
| Temperature [K] | 295 |
| Detector technology | PIXEL |
| Collection date | 2022-02-22 |
| Detector | RIGAKU HyPix-6000HE |
| Wavelength(s) | 1.5406 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 18.312, 30.780, 43.159 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 17.670 - 1.800 |
| R-factor | 0.1741 |
| Rwork | 0.174 |
| R-free | 0.18180 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.826 |
| Data reduction software | CrysalisPro |
| Data scaling software | CrysalisPro |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 18.310 | 1.880 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Number of reflections | 2494 | 294 |
| <I/σ(I)> | 13.5 | |
| Completeness [%] | 99.6 | |
| Redundancy | 4.8 | |
| CC(1/2) | 0.999 | 0.952 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 291 | oligo, 2-methyl-2,4-pentanediol (MPD), sodium cacodylate, KCl, NaCl and spermine tetrachloride |
