7JSC

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-08-15
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.92
Spacegroup name	H 3
Unit cell lengths	113.109, 113.109, 50.385
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	35.119 - 2.950
R-factor	0.2575
Rwork	0.256
R-free	0.27800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5vy6
RMSD bond length	0.005
RMSD bond angle	0.744
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	3.000
High resolution limit [Å]	2.950	8.000	2.950
Rmerge	0.087	0.088	1.055
Rmeas	0.091	0.093	1.130
Rpim	0.029	0.029	0.392
Total number of observations	50184
Number of reflections	4983	252	212
<I/σ(I)>	9
Completeness [%]	98.5	98.8	87.6
Redundancy	10.1	10.6	7.3
CC(1/2)		0.978	0.786

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.5 mL of 0.05 M Cacodylate pH 7.0 with 20 mM MgCl2, 1.0 mM spermine, 1.0 mM CoH18N6, and 15% ethanol was added to the reservoir with 2 uL added to the drop containing 4 uL of DNA stock