7SPL

[2T3] Self-assembling 3D DNA triangle with three inter-junction base pairs containing the L1 junction and a zero-linked center strand

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-02-21
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	1.00743
Spacegroup name	H 3
Unit cell lengths	87.841, 87.841, 140.534
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	36.720 - 6.090
R-factor	0.236
Rwork	0.234
R-free	0.33480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3gbi
RMSD bond length	0.006
RMSD bond angle	1.301
Data reduction software	autoPROC
Data scaling software	STARANISO
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	66.900	66.900	7.264
High resolution limit [Å]	6.033	10.615	6.033
Number of reflections	765	192	191
<I/σ(I)>	4.4
Completeness [%]	83.2	100	55.2
Redundancy	9.9
CC(1/2)	0.995	0.995	0.039

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.8	277	100 mM MOPS, 1.25 M magnesium sulfate