8EPG

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-04-24
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.03
Spacegroup name	P 43 2 2
Unit cell lengths	35.309, 35.309, 104.385
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.310 - 2.150
R-factor	0.2573
Rwork	0.255
R-free	0.29470
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	1.271
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]	35.310	2.544
High resolution limit [Å]	2.150	2.154
Number of reflections	1969	198
<I/σ(I)>	14.2
Completeness [%]	88.2
Redundancy	10.4	10.7
CC(1/2)	1.000	0.820

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