3NAO

A DNA Crystal Designed to Contain Two Molecules per Asymmetric Unit Cell

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X6A
Synchrotron site	NSLS
Beamline	X6A
Temperature [K]	100
Wavelength(s)	1.1
Spacegroup name	H 3
Unit cell lengths	105.345, 105.345, 183.938
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.118 - 5.030
R-factor	0.1949
Rwork	0.191
R-free	0.22880
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.260
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine))

Data quality characteristics

	Overall
Low resolution limit [Å]	34.120
High resolution limit [Å]	5.030
Number of reflections	3129
Completeness [%]	85.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	SLOW COOLING	7	293	125 mM magnesium acetate, 50 mM HEPES (pH 7.0) and 10% MPD in a 100 L sitting drop, equilibrated against a 0.5 ml reservoir of 1.4 M ammonium sulphate for two weeks. SLOW COOLING, temperature changed from 363K to 293K.
1	SLOW COOLING	7	293	125 mM magnesium acetate, 50 mM HEPES (pH 7.0) and 10% MPD in a 100 L sitting drop, equilibrated against a 0.5 ml reservoir of 1.4 M ammonium sulphate for two weeks. SLOW COOLING, temperature changed from 363K to 293K.