6XO6

Self-assembly of a 3D DNA crystal lattice (4x6 junction version) containing the J28 immobile Holliday junction

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-07-15
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.92
Spacegroup name	P 32
Unit cell lengths	67.903, 67.903, 59.509
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	33.952 - 3.108
R-factor	0.1996
Rwork	0.198
R-free	0.22520
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6xna
RMSD bond length	0.005
RMSD bond angle	0.660
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	3.150
High resolution limit [Å]	3.100	8.400	3.100
Rmerge	0.153	0.101	0.548
Rmeas	0.163	0.108	0.585
Rpim	0.054	0.036	0.200
Total number of observations	43008
Number of reflections	4995	277	167
<I/σ(I)>	4.6
Completeness [%]	90.3	100	63.5
Redundancy	8.6	11.1	6.1
CC(1/2)		0.948	0.962

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 1.0 mM spermine, 2.0 mM CoH18N6, 30 mM CaCl2, and 2.0 M LiCl was added to the reservoir with 2 uL added to the drop containing 4 uL of DNA stock