7JSB

Self-assembly of a 3D DNA crystal lattice (4x6 scramble duplex version) containing the J30 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	2019-08-15
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1
Spacegroup name	H 3
Unit cell lengths	114.698, 114.698, 50.460
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	35.396 - 3.103
R-factor	0.228
Rwork	0.227
R-free	0.24150
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5vy6
RMSD bond length	0.005
RMSD bond angle	0.748
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	0.161	0.140	0.619
Rmeas	0.170	0.148	0.660
Rpim	0.053	0.047	0.220
Total number of observations	41400
Number of reflections	4290	219	182
<I/σ(I)>	7.6
Completeness [%]	95.8	98.6	83.9
Redundancy	9.7	10.4	6.7
CC(1/2)		0.963	0.916

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 10 mM MgCl2, 2.5 mM spermine, 5 mM CaCl2, and 10% isopropanol was added to the reservoir with 2 uL added to the drop containing 4 uL of DNA stock