8OEC
Crystal structure of the Z-DNA duplex d(CGCGCG) containing ordered copper(II) and soaked in hydrogen peroxide for another 30 minutes, third 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 | 18.355, 30.778, 43.104 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 17.650 - 2.100 |
| R-factor | 0.1492 |
| Rwork | 0.147 |
| R-free | 0.18800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.667 |
| 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] | 17.650 | 2.250 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Number of reflections | 1612 | 285 |
| <I/σ(I)> | 10.7 | |
| Completeness [%] | 99.5 | |
| Redundancy | 2 | |
| CC(1/2) | 0.999 | 0.982 |
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 |
