7JI6

Self-assembly of a 3D DNA crystal lattice (4x6 scramble junction version) containing the J34 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	2018-08-15
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1
Spacegroup name	H 3
Unit cell lengths	111.796, 111.796, 51.296
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.327 - 3.005
R-factor	0.2098
Rwork	0.208
R-free	0.24160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6xna
RMSD bond length	0.007
RMSD bond angle	0.882
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	3.050
High resolution limit [Å]	3.000	8.130	3.000
Rmerge	0.072	0.061	0.567
Rmeas	0.076	0.064	0.601
Rpim	0.024	0.021	0.195
Number of reflections	4591	241	166
<I/σ(I)>	10.6
Completeness [%]	96.3	100	70.3
Redundancy	9.7	10.4	8.4
CC(1/2)	1.000	0.992	0.947

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.5 mL of 0.05 M Cacodylate pH 6.0 with 20 mM MgCl2, 1.0 mM spermine, 2 mM CaCl2, and 10% MPD was added to the reservoir with 2 uL added to the drop containing 4 uL of DNA stock