1P4Y

Effect of Sequence on the Conformational Geometry of DNA Holliday Junctions

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	103
Detector technology	IMAGE PLATE
Collection date	2003-01-24
Detector	RIGAKU RAXIS IV
Spacegroup name	C 1 2 1
Unit cell lengths	66.513, 24.179, 37.004
Unit cell angles	90.00, 110.01, 90.00

Refinement procedure

Resolution	20.000 * - 1.700
R-factor	0.229
Rwork	0.229
R-free	0.26000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	UD0008
RMSD bond length	0.007
RMSD bond angle	1.240 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	EPMR
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000 *	1.710
High resolution limit [Å]	1.600 *	1.650
Rmerge	0.049 *	0.278 *
Total number of observations	50581 *
Number of reflections	5137 *
<I/σ(I)>		2.14
Completeness [%]	78.7 *	48 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7	25 *	0.5mM DNA, 25mM sodium cacodylate, 7.5mM CaCl2, 0.1mM SPERMINE TETRAHYDROCHLORIDE, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K, pH 7.00

Crystallization Reagents

ID	crystal ID	solution ID	reagent name	concentration	details
1	1	1	sodium cacodylate
2	1	1	CaCl2
3	1	1	SPERMINE TETRAHYDROCHLORIDE
4	1	1	H2O
5	1	2	sodium cacodylate
6	1	2	CaCl2
7	1	2	SPERMINE TETRAHYDROCHLORIDE
8	1	2	H2O

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	DNA	0.5 (mM)
2	1	drop	sodium cacodylate	25 (mM)	pH7.0
3	1	drop		7.5 (mM)
4	1	drop	spermine tetrahydrochloride	0.1 (mM)
5	1	reservoir	MPD	28 (%(v/v))