6XNA

Self-assembly of a 3D DNA crystal lattice (4x6 junction version) containing the J1 immobile Holliday junction

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2015-06-15
Detector	ADSC QUANTUM 315r
Wavelength(s)	1
Spacegroup name	P 32
Unit cell lengths	68.444, 68.444, 55.682
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.222 - 3.050
R-factor	0.2036
Rwork	0.202
R-free	0.23420
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5vy6
RMSD bond length	0.004
RMSD bond angle	0.646
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]	3.009	8.270	3.050
Rmerge	0.120	0.077	0.951
Rmeas	0.128	0.082	1.023
Rpim	0.045	0.029	0.372
Number of reflections	4864	276	165
<I/σ(I)>	9.1
Completeness [%]	86.6	98.2	55.7
Redundancy	7.6	8.4	6.7
CC(1/2)		0.995	0.883

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.5 mL of 50 mM cacodylate pH 6.5 with 18 mM MgCl2, 0.9 mM spermine, 0.9 mM cobalt(III)hexamine, and 9% isopropanol was added to the reservoir with 2 uL added to the drop containing 4 uL of DNA stock