3UBI

The Absence of Tertiary Interactions in a Self-Assembled DNA Crystal Structure

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X25
Synchrotron site	NSLS
Beamline	X25
Temperature [K]	190
Detector technology	CCD
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.1
Spacegroup name	H 3
Unit cell lengths	169.980, 169.980, 88.638
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.069 - 6.805
R-factor	0.1401
Rwork	0.139
R-free	0.15200
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.814
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: dev_873))

Data quality characteristics

	Overall
Low resolution limit [Å]	49.069
High resolution limit [Å]	6.805
Number of reflections	1413
Completeness [%]	100.0

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	CRYSTALLIZATION CONDITIONS: GROWN BY VAPOR DIFFUSION WHILE TREATED WITH A CONTROLLED TEMPERATURE GRADIENT FROM 333 DEGS TO 293 DEGS., PH 8.5, VAPOR DIFFUSION, SITTING DROP