8F42

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
Unit cell lengths	35.363, 35.363, 103.291
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.360 - 2.550
R-factor	0.2277
Rwork	0.225
R-free	0.27880
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	1.651
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]	35.363	2.930
High resolution limit [Å]	2.550	2.550
Number of reflections	4231	396
<I/σ(I)>	12.7
Completeness [%]	80.0
Redundancy	6.5
CC(1/2)	1.000	0.743

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	30 uM motif 60 uM Hoechst 33342, 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