7JPB

Self-assembly of a 3D DNA crystal lattice (4x6 duplex version) containing the J2 immobile Holliday junction

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-2
Synchrotron site	NSLS-II
Beamline	17-ID-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-10-15
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.98
Spacegroup name	P 32
Unit cell lengths	69.111, 69.111, 56.404
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.556 - 3.158
R-factor	0.2248
Rwork	0.224
R-free	0.24390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5vy6
RMSD bond length	0.005
RMSD bond angle	0.755
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	0.117	0.097	0.321
Rmeas	0.127	0.106	0.361
Rpim	0.048	0.041	0.162
Number of reflections	4138	256	98
<I/σ(I)>	6
Completeness [%]	80.1	100	41.5
Redundancy	6.6	8.1	3.2
CC(1/2)	0.991	0.965	0.960

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 2.0 mM spermine, 1.0 mM CoH18N6, and 80 mM CaCl2 was added to the reservoir with 2 uL added to the drop containing 4 uL of DNA stock