8EPE

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-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)	1.03
Spacegroup name	P 43 2 2
Unit cell lengths	34.915, 34.915, 104.976
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.920 - 2.450
R-factor	0.2405
Rwork	0.238
R-free	0.26210
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	1.466
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]	34.920	2.995
High resolution limit [Å]	2.450	2.450
Number of reflections	1381	197
<I/σ(I)>	12.2
Completeness [%]	85.0
Redundancy	10.7	9.6
CC(1/2)	1.000	0.930

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