6XFF

Self-assembly of a 3D DNA crystal lattice (4x5 junction version) containing the J22 immobile Holliday junction

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	2018-03-15
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.92
Spacegroup name	P 32
Unit cell lengths	69.441, 69.441, 59.459
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.721 - 3.122
R-factor	0.2309
Rwork	0.229
R-free	0.26690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6x8c
RMSD bond length	0.006
RMSD bond angle	0.808
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	0.124	0.084	0.854
Rmeas	0.132	0.089	0.924
Rpim	0.043	0.030	0.343
Number of reflections	4852	267	145
<I/σ(I)>	6.6
Completeness [%]	85.1	92.7	51.2
Redundancy	9.2	9.6	6.4
CC(1/2)	0.974	0.995	0.718

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