6XEI

Self-assembly of a 3D DNA crystal lattice (4x5 junction version) containing the J9 immobile Holliday junction

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	2018-03-15
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.92
Spacegroup name	P 32
Unit cell lengths	68.731, 68.731, 60.829
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.365 - 3.049
R-factor	0.2468
Rwork	0.245
R-free	0.26740
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6x8c
RMSD bond length	0.005
RMSD bond angle	0.669
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]	3.049	8.270	3.050
Rmerge	0.093	0.096	0.725
Rmeas	0.098	0.102	0.770
Rpim	0.031	0.033	0.251
Number of reflections	5886	305	199
<I/σ(I)>	5.5
Completeness [%]	95.9	99	66.8
Redundancy	9.7	10.5	7.7
CC(1/2)	0.972	0.990	0.901

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, and 15% Ethanol was added to the reservoir with 2 uL added to the drop containing 4 uL of DNA stock