400D

THE INTRINSIC STRUCTURE AND STABILITY OF OUT-OF-ALTERNATION BASE PAIRS IN Z-DNA

Experimental procedure

Source type	ROTATING ANODE
Source details	SIEMENS
Temperature [K]	298
Detector technology	DIFFRACTOMETER
Collection date	1992-06-01
Detector	SIEMENS
Spacegroup name	P 21 21 21
Unit cell lengths	17.790, 30.900, 44.360
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 1.650
R-factor	0.196
Rwork	0.196
R-free	0.24800
RMSD bond length	0.008
RMSD bond angle	1.470
Data reduction software	XSCANS
Data scaling software	XSCANS
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall
High resolution limit [Å]	1.650 *
Rmerge	0.030
Number of reflections	3197
Redundancy	10

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	7		pH 7.00, VAPOR DIFFUSION

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	DNA	0.3 (mM)	single stranded
2	1	drop	sodium cacodylate	12 (mM)
3	1	drop		25 (mM)
4	1	drop	spermine tetrachloride	1 (mM)
5	1	drop	MPD	5 (%(v/v))
6	1	reservoir	MPD	30 (%)