6WRI

Self-assembly of a 3D DNA crystal lattice (4x5 duplex version) containing the J28 immobile Holliday junction

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	2018-05-15
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1
Spacegroup name	P 32
Unit cell lengths	68.962, 68.962, 60.585
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.481 - 3.057
R-factor	0.1999
Rwork	0.198
R-free	0.24750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5kek
RMSD bond length	0.009
RMSD bond angle	0.996
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	0.064	0.032	0.838
Rmeas	0.067	0.034	0.898
Rpim	0.021	0.011	0.316
Number of reflections	5829	299	204
<I/σ(I)>	6.6
Completeness [%]	95.2	97.1	64.6
Redundancy	9.7	10.3	7.2
CC(1/2)	0.988	0.999	0.855

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 36 mM MgCl2, 2.25 mM spermine, and 5% PEG 400 was added to the reservoir with 2 uL added to the drop containing 4 uL of DNA stock