8EPI

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	2022-07-21
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.03
Spacegroup name	P 43 2 2
Unit cell lengths	36.377, 36.377, 104.372
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.380 - 2.550
R-factor	0.2511
Rwork	0.249
R-free	0.29110
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	1.500
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]	36.380	3.117
High resolution limit [Å]	2.550	2.555
Number of reflections	1308	188
<I/σ(I)>	12.2
Completeness [%]	80.4
Redundancy	10.8	10.1
CC(1/2)	1.000	0.900

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