6XFZ

Self-assembly of a 3D DNA crystal lattice (4x5 junction version) containing the J29 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	2019-08-15
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1
Spacegroup name	P 32
Unit cell lengths	68.652, 68.652, 58.140
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	26.468 - 3.113
R-factor	0.2458
Rwork	0.244
R-free	0.26220
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6x8c
RMSD bond length	0.005
RMSD bond angle	0.673
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	0.162	0.156	0.504
Rmeas	0.170	0.164	0.538
Rpim	0.053	0.051	0.182
Number of reflections	4640	277	121
<I/σ(I)>	4.7
Completeness [%]	84.3	100	51.3
Redundancy	9.3	10.5	7.1
CC(1/2)	1.000	0.990	0.943

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.5 mL of 0.05 M HEPES pH 7.5 with 20 mM MgCl2, 1.0 mM spermine, and 5% PEG 8000 was added to the reservoir with 2 uL added to the drop containing 4 uL of DNA stock