7JHU

Self-assembly of a 3D DNA crystal lattice (4x6 junction version) containing the J33 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	2018-10-15
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.92
Spacegroup name	H 3
Unit cell lengths	113.869, 113.869, 50.807
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.053 - 3.152
R-factor	0.2451
Rwork	0.244
R-free	0.27270
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6xna
RMSD bond length	0.005
RMSD bond angle	0.768
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	3.200
High resolution limit [Å]	3.150	8.540	3.150
Rmerge	0.136	0.131	0.423
Rmeas	0.149	0.144	0.472
Rpim	0.058	0.057	0.201
Number of reflections	3676	212	78
<I/σ(I)>	6
Completeness [%]	86.4	100	35.3
Redundancy	6.9	8.9	3.7
CC(1/2)	0.905	0.891	0.867

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 18 mM MgCl2, 2.25 mM spermine, and 9% Isopropanol was added to the reservoir with 2 uL added to the drop containing 4 uL of DNA stock