7JJZ

Self-assembly of a 3D DNA crystal lattice (4x6 scramble junction version) containing the J2 immobile Holliday junction

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	2019-09-15
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1
Spacegroup name	P 32
Unit cell lengths	68.272, 68.272, 55.786
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.563 - 3.068
R-factor	0.2408
Rwork	0.238
R-free	0.26460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6xna
RMSD bond length	0.005
RMSD bond angle	0.730
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	3.100
High resolution limit [Å]	3.050	8.270	3.050
Rmerge	0.109	0.090	0.833
Rmeas	0.115	0.094	0.892
Rpim	0.037	0.029	0.307
Number of reflections	4231	281	135
<I/σ(I)>	4.5
Completeness [%]	77.7	100	46.1
Redundancy	8.6	9.7	7.5
CC(1/2)	0.981	0.998	0.785

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, and15% ethanol was added to the reservoir with 2 uL added to the drop containing 4 uL of DNA stock