7JS0

Self-assembly of a 3D DNA crystal lattice (4x6 duplex version) containing the J31 immobile Holliday junction with R3 symmetry

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-10-15
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1
Spacegroup name	H 3
Unit cell lengths	116.078, 116.078, 49.430
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.358 - 3.190
R-factor	0.2023
Rwork	0.201
R-free	0.21680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5vy6
RMSD bond length	0.012
RMSD bond angle	1.211
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.200
High resolution limit [Å]	3.150	8.540	3.150
Rmerge	0.116	0.085	0.451
Rmeas	0.123	0.090	0.490
Rpim	0.040	0.029	0.187
Number of reflections	3347	204	71
<I/σ(I)>	5.6
Completeness [%]	81.1	99	30.9
Redundancy	8.4	10.3	5.2
CC(1/2)	0.948	0.998	0.899

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.5 mL of 0.05 M Cacodylate pH 6.5 with 2.5 mM spermine, 18 mM CaCl2, and 9% 2-propanol was added to the reservoir with 2 uL added to the drop containing 4 uL of DNA stock