8GH5

Implementing Logic Gates in DNA Crystal Engineering

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-06-11
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0332
Spacegroup name	C 2 2 21
Unit cell lengths	51.260, 51.238, 105.514
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.240 - 2.640
R-factor	0.2295
Rwork	0.226
R-free	0.28440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8ep8
RMSD bond length	0.012
RMSD bond angle	1.308
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]	52.757	3.133
High resolution limit [Å]	2.640	2.640
Number of reflections	3246	196
<I/σ(I)>	7.4	1.3
Completeness [%]	82.8
Redundancy	5.9
CC(1/2)	0.996	0.810

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	10 uM of each motif, 5 mM magnesium sulfate hydrate, 5 mM HEPES sodium, 0.16 M lithium sulfate monohydrate, pH 7.0