7JPA

Self-assembly of a 3D DNA crystal lattice (4x6 duplex version) containing the J5 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	2018-02-15
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1
Spacegroup name	P 32
Unit cell lengths	68.167, 68.167, 53.235
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.084 - 3.164
R-factor	0.2025
Rwork	0.201
R-free	0.21620
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5vy6
RMSD bond length	0.007
RMSD bond angle	1.244
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	0.103	0.083	0.299
Rmeas	0.109	0.088	0.321
Rpim	0.036	0.029	0.113
Number of reflections	3637	246	93
<I/σ(I)>	6.2
Completeness [%]	73.2	98	36.3
Redundancy	8.2	10.1	6.2
CC(1/2)	1.000	0.995	0.928

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 200 mM Ca(CH3COO)2, 1.0 mM CoH18N6, and 2.0 M LiCl was added to the reservoir with 2 uL added to the drop containing 4 uL of DNA stock