8G4G
Crystal Engineering with One 8-mer DNA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RUH2R |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2021-12-28 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.54178 |
Spacegroup name | H 3 2 |
Unit cell lengths | 69.639, 69.639, 72.756 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 31.150 - 2.170 |
R-factor | 0.2512 |
Rwork | 0.251 |
R-free | 0.26080 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7 bp ideal B type DNA duplex generated in Cadnano |
RMSD bond length | 0.007 |
RMSD bond angle | 0.793 |
Data reduction software | autoPROC |
Data scaling software | STARANISO |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.430 | 2.400 |
High resolution limit [Å] | 2.170 | 2.170 |
Number of reflections | 2537 | 196 |
<I/σ(I)> | 15.8 | 1.4 |
Completeness [%] | 83.9 | |
Redundancy | 13.4 | |
CC(1/2) | 1.000 | 0.466 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 295 | 4 uL 0.5 ug/uL DNA motif in 0.2* TAE/Mg2+ buffer (annealing from 95-22 degree C in 2 hours) + 5 uL crystallization buffer [2 mM magnesium chloride hexahydrate, 4 mM sodium cacodylate trihydrate, pH 5.5, 4% v/v MPD, 0.2 mM hexammine cobalt (III) chloride] |