6XDW

Self-assembly of a 3D DNA crystal lattice (4x5 junction version) containing the J5 immobile Holliday junction

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2017-12-15
Detector	ADSC QUANTUM 210r
Wavelength(s)	1
Spacegroup name	P 32 2 1
Unit cell lengths	67.918, 67.918, 59.511
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.834 - 3.148
R-factor	0.2259
Rwork	0.224
R-free	0.25990
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6x8c
RMSD bond length	0.012
RMSD bond angle	1.231
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]	3.148	8.540	3.150
Rmerge	0.149	0.035	0.641
Rmeas	0.156	0.037	0.678
Rpim	0.044	0.012	0.209
Number of reflections	2891	165	120
<I/σ(I)>	5.4
Completeness [%]	98.0	97.1	82.8
Redundancy	12.3	11.7	7.3
CC(1/2)	1.000	0.997	0.882

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