425D

5'-D(*AP*CP*CP*GP*GP*TP*AP*CP*CP*GP*GP*T)-3'

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	120
Detector technology	AREA DETECTOR
Collection date	1995-03-10
Detector	XENTRONICS
Spacegroup name	P 43
Unit cell lengths	40.207, 40.207, 57.575
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.500 - 2.800
R-factor	0.219
Rwork	0.219
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	IDEAL B-DNA
RMSD bond length	0.010
RMSD bond angle	16.900 *
Data reduction software	XDS
Data scaling software	XDS
Phasing software	ULTIMA
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.500	2.900
High resolution limit [Å]	2.800	2.800
Rmerge	0.056	0.210
Total number of observations	13447 *
Number of reflections	2243	2164 *
Completeness [%]	97.5	86.8 *
Redundancy	6	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7	4 *	pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K

Crystallization Reagents

ID	crystal ID	solution ID	reagent name	concentration	details
1	1	1	MGCL2
2	1	1	MNCL2
3	1	1	SPERMINE
4	1	1	SODIUM CACODYLATE
5	1	1	MPD
6	1	2	SODIUM CACODYLATE
7	1	2	MPD

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	DNA	2 (mg/ml)
2	1	drop		32 (mM)
3	1	drop		3-10 (mM)
4	1	drop	spermine tetrachloride	7 (mM)
5	1	drop	sodium cacodylate	20 (mM)
6	1	drop	MPD	5 (%(w/v))
7	1	reservoir		18 (%)
8	1	reservoir	sodium cacodylate	100 (mM)