8OEZ
Crystal structure of the Z-DNA hexamer d(CGCGCG) with Iron(II) chloride
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | RIGAKU PhotonJet-S |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-10-22 |
| Detector | RIGAKU HyPix-6000HE |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 18.094, 30.387, 42.506 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 14.600 - 1.640 |
| R-factor | 0.1957 |
| Rwork | 0.194 |
| R-free | 0.22430 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.686 |
| 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] | 14.600 | 1.700 |
| High resolution limit [Å] | 1.640 | 1.640 |
| Rmerge | 0.105 | 0.197 |
| Number of reflections | 3119 | 268 |
| <I/σ(I)> | 13.7 | |
| Completeness [%] | 99.3 | |
| Redundancy | 2 | |
| CC(1/2) | 1.000 | 0.996 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 291 | oligo, 2-methyl-2,4-pentanediol (MPD), sodium cacodylate, pH 6.0, KCl, NaCl and spermine tetrachloride |
