6XG0

Self-assembly of a 3D DNA crystal lattice (4x5 junction version) containing the J31 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	2018-05-15
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1
Spacegroup name	P 32
Unit cell lengths	68.888, 68.888, 58.969
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.444 - 3.178
R-factor	0.2403
Rwork	0.239
R-free	0.26140
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6x8c
RMSD bond length	0.004
RMSD bond angle	0.657
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	3.200
High resolution limit [Å]	3.150	8.540	3.150
Rmerge	0.108	0.079	0.429
Rmeas	0.115	0.085	0.463
Rpim	0.038	0.030	0.166
Number of reflections	4650	246	183
<I/σ(I)>	6.6
Completeness [%]	88.3	92.5	62.2
Redundancy	9	9.4	5.6
CC(1/2)	0.981	0.995	0.947

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.5 mL of 0.05 M Cacodylate pH 6.5 with 36 mM MgCl2, 2.25 mM spermine, and 5% PEG 400 was added to the reservoir with 2 uL added to the drop containing 4 uL of DNA stock