7JOK

Self-assembly of a 3D DNA crystal lattice (4x6 duplex version) containing the J26 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
Unit cell lengths	68.172, 68.172, 55.083
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.086 - 3.110
R-factor	0.2492
Rwork	0.246
R-free	0.26740
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5vy6
RMSD bond length	0.005
RMSD bond angle	0.766
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	0.097	0.036	0.526
Rmeas	0.105	0.038	0.569
Rpim	0.038	0.014	0.212
Number of reflections	4614	254	133
<I/σ(I)>	8
Completeness [%]	89.7	98.1	57.8
Redundancy	7.1	7.4	5.7
CC(1/2)	0.994	0.999	0.962

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.5 mL of 0.05 M TRIS pH 7.5 with 200 mM MgCl2 and 2.5 M NaCl was added to the reservoir with 2 uL added to the drop containing 4 uL of DNA stock