7JS2

Self-assembly of a 3D DNA crystal lattice (4x6 duplex version) containing the J36 immobile Holliday junction with R3 symmetry

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	H 3
Unit cell lengths	114.605, 114.605, 50.347
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.081 - 3.058
R-factor	0.1898
Rwork	0.188
R-free	0.22120
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5vy6
RMSD bond length	0.014
RMSD bond angle	1.246
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	3.100
High resolution limit [Å]	3.050	8.270	3.050
Rmerge	0.127	0.131	0.696
Rmeas	0.134	0.138	0.738
Rpim	0.042	0.043	0.241
Number of reflections	4633	234	227
<I/σ(I)>	7.3
Completeness [%]	99.4	100	95.4
Redundancy	9.7	10	8.2
CC(1/2)	0.924	0.986	0.908

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 10 mM MgCl2 and 50 mM spermine was added to the reservoir with 2 uL added to the drop containing 4 uL of DNA stock