7JP9

Self-assembly of a 3D DNA crystal lattice (4x6 duplex version) containing the J8 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	2017-11-15
Detector	ADSC QUANTUM 315r
Wavelength(s)	1
Spacegroup name	P 32
Unit cell lengths	68.304, 68.304, 54.283
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.152 - 3.157
R-factor	0.258
Rwork	0.257
R-free	0.27330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5vy6
RMSD bond length	0.006
RMSD bond angle	0.734
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	0.082	0.050	0.462
Rmeas	0.092	0.055	0.545
Rpim	0.040	0.023	0.279
Number of reflections	3906	244	112
<I/σ(I)>	7.5
Completeness [%]	80.0	98.8	44.3
Redundancy	4.6	5.8	2.4
CC(1/2)	0.951	0.999	0.870

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 and 2.5 M NaCl was added to the reservoir with 2 uL added to the drop containing 4 uL of DNA stock