7JON

Self-assembly of a 3D DNA crystal lattice (4x6 duplex version) containing the J23 immobile Holliday junction

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2017-09-15
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.98
Spacegroup name	P 32
Unit cell lengths	68.625, 68.625, 55.959
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.312 - 3.107
R-factor	0.2281
Rwork	0.227
R-free	0.24410
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5vy6
RMSD bond length	0.005
RMSD bond angle	0.729
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	0.123	0.076	0.508
Rmeas	0.133	0.083	0.560
Rpim	0.050	0.031	0.229
Number of reflections	4641	273	150
<I/σ(I)>	5.5
Completeness [%]	86.8	99.3	56.6
Redundancy	6.3	7.3	4.7
CC(1/2)	1.000	0.996	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 6.0 with 200 mM MgCl2 and 2.5 M KCl was added to the reservoir with 2 uL added to the drop containing 4 uL of DNA stock