6X8C

Self-assembly of a 3D DNA crystal lattice (4x5 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	2013-10-16
Detector	ADSC QUANTUM 315r
Wavelength(s)	1
Spacegroup name	P 32 2 1
Unit cell lengths	67.926, 67.926, 59.262
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.467 - 3.098
R-factor	0.2416
Rwork	0.238
R-free	0.26710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5kek
RMSD bond length	0.004
RMSD bond angle	0.604
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]	30.000	30.000	3.150
High resolution limit [Å]	3.098	8.360	3.100
Rmerge	0.065	0.021	0.342
Number of reflections	3041	174	130
<I/σ(I)>	12.8
Completeness [%]	99.4	97.8	93.5
Redundancy	9.8	9.2	7
CC(1/2)	1.000

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.5 mL of 50 mM cacodylate pH 6.0, 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