6XGN

Self-assembly of a 3D DNA crystal lattice (4x5 junction version) containing the J33 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	2018-05-15
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1
Spacegroup name	P 32
Unit cell lengths	68.371, 68.371, 61.297
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 3.120
R-factor	0.2103
Rwork	0.209
R-free	0.22850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6x8c
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]	59.210	50.000	3.150
High resolution limit [Å]	3.100	8.400	3.100
Rmerge	0.074	0.051	0.690
Rmeas	0.079	0.054	0.750
Rpim	0.026	0.018	0.279
Number of reflections	4430	284	91
<I/σ(I)>	5.2
Completeness [%]	78.1	99.3	32.3
Redundancy	9.1	10.5	6.2
CC(1/2)		0.992	0.605

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 30 mM MgCl2, 2.5 mM spermine, and 5% PEG 400 was added to the reservoir with 2 uL added to the drop containing 4 uL of DNA stock