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 |