8EPD

Engineering Crystals with Tunable Symmetries from 14- or 16-Base-Long DNA Strands

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2022-03-02
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54
Spacegroup name	P 43 2 2
Unit cell lengths	34.166, 34.166, 104.316
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	17.810 - 2.420
R-factor	0.2488
Rwork	0.246
R-free	0.29810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	ideal B type DNA duplexes generated in Cadnano
RMSD bond length	0.011
RMSD bond angle	1.336
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]	17.810	2.924
High resolution limit [Å]	2.420	2.421
Number of reflections	1864	189
<I/σ(I)>	19.4
Completeness [%]	87.5
Redundancy	11.4	8.1
CC(1/2)	1.000	0.670

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	0.5 ug/uL motif 0.005 M magnesium sulfate hydrate, 0.005 M HEPES sodium pH 7.0, 0.16 M lithium sulfate monohydrate, 4 % MPD at pH 7.0