8F40

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	2022-11-04
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.03
Spacegroup name	P 43 2 2
Unit cell lengths	36.785, 36.785, 103.334
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.780 - 2.450
R-factor	0.2266
Rwork	0.224
R-free	0.26380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	ideal B type DNA duplexes generated in Cadnano
RMSD bond length	0.012
RMSD bond angle	1.423
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]	36.780	2.940
High resolution limit [Å]	2.450	2.450
Number of reflections	2497	201
<I/σ(I)>	14.1
Completeness [%]	87.2
Redundancy	10.5	10.7
CC(1/2)	1.000	0.951

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	30 uM 0.005 M magnesium sulfate hydrate, 0.005 M HEPES sodium pH 7.0, 0.16 M lithium sulfate monohydrate, 6 % MPD at pH 7.0