7JKJ

Self-assembly of a 3D DNA crystal lattice (4x6 scramble duplex version) containing the J8 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	2019-09-15
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1
Spacegroup name	H 3
Unit cell lengths	113.169, 113.169, 50.774
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	35.260 - 3.077
R-factor	0.2297
Rwork	0.229
R-free	0.24080
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5vy6
RMSD bond length	0.004
RMSD bond angle	0.723
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	0.168	0.159	0.719
Rmeas	0.177	0.167	0.775
Rpim	0.054	0.050	0.278
Number of reflections	4101	222	118
<I/σ(I)>	4.7
Completeness [%]	91.7	100	54.1
Redundancy	8.9	10.5	6
CC(1/2)	0.933	0.954	0.807

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.5 mL of 0.05 M Cacodylate pH 7.0 with 18 mM MgCl2, 2.25 mM spermine, 0.9 mM CoH18N6, and 4.5% MPD was added to the reservoir with 2 uL added to the drop containing 4 uL of DNA stock