8OEX
Crystal structure of the native Z-DNA duplex d(CGCGCG) before soaking of CuCl2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SEALED TUBE |
Source details | RIGAKU PhotonJet-S |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-09-25 |
Detector | RIGAKU HyPix-6000HE |
Wavelength(s) | 1.5406 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 18.283, 30.764, 42.477 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 17.480 - 1.070 |
R-factor | 0.1063 |
Rwork | 0.105 |
R-free | 0.12520 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.011 |
RMSD bond angle | 1.396 |
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] | 18.280 | 1.090 |
High resolution limit [Å] | 1.070 | 1.070 |
Rmerge | 0.183 | 0.553 |
Rmeas | 0.199 | 0.606 |
Rpim | 0.077 | 0.241 |
Number of reflections | 10952 | 480 |
<I/σ(I)> | 11.4 | 3.4 |
Completeness [%] | 99.6 | 92.7 |
Redundancy | 2 | |
CC(1/2) | 0.999 | 0.868 |
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 |