7JKH

Self-assembly of a 3D DNA crystal lattice (4x6 scramble duplex version) containing the J5 immobile Holliday junction with R3 symmetry

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	2018-08-15
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1
Spacegroup name	H 3
Unit cell lengths	113.260, 113.260, 49.896
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.473 - 3.107
R-factor	0.2065
Rwork	0.206
R-free	0.21480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5vy6
RMSD bond length	0.006
RMSD bond angle	0.864
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	0.060	0.037	0.486
Rmeas	0.063	0.039	0.517
Rpim	0.020	0.012	0.173
Total number of observations	33207
Number of reflections	3640	212	83
<I/σ(I)>	6
Completeness [%]	84.7	100	39.3
Redundancy	9.1	10.6	7.4
CC(1/2)		0.999	0.902

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 20 mM MgCl2, 1.0 mM spermine, 1.0 mM CoH18N6, and 15% ethanol was added to the reservoir with 2 uL added to the drop containing 4 uL of DNA stock