7JP5

Self-assembly of a 3D DNA crystal lattice (4x6 duplex version) containing the J22 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	2017-08-15
Detector	ADSC QUANTUM 210r
Wavelength(s)	1.1
Spacegroup name	P 32
Unit cell lengths	68.554, 68.554, 55.361
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.277 - 3.094
R-factor	0.2455
Rwork	0.244
R-free	0.26860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5vy6
RMSD bond length	0.005
RMSD bond angle	0.798
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]	3.094	8.400	3.100
Rmerge	0.141	0.088	0.921
Rmeas	0.156	0.097	1.033
Rpim	0.066	0.041	0.462
Number of reflections	4420	273	134
<I/σ(I)>	7.3
Completeness [%]	83.2	97.8	48.9
Redundancy	5.1	5.6	4.1
CC(1/2)	0.998	0.986	0.700

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.5 mL of 0.05 M TRIS pH 8.0 with 200 mM MgCl2 and 15% ethanol was added to the reservoir with 2 uL added to the drop containing 4 uL of DNA stock