1P54

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	2002-12-19
Detector	RIGAKU RAXIS IV
Spacegroup name	C 1 2 1
Unit cell lengths	64.840, 22.580, 38.070
Unit cell angles	90.00, 106.78, 90.00

Refinement procedure

Resolution	20.000 * - 1.900
R-factor	0.215
Rwork	0.215
R-free	0.24300 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1L6B USED FOR INITIAL SOLUTION VIA MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.880 *
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 *	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.041	0.189
Total number of observations	13013 *
Number of reflections	4011 *
<I/σ(I)>	4.05
Completeness [%]	82.0	34.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7.5	298	0.6mM DNA, 5mM Tris-HCL, 120mM calcium acetate, 16% 2-methyl-2,4-pentane diol, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K, pH 7.50

Crystallization Reagents

ID	crystal ID	solution ID	reagent name	concentration	details
1	1	1	Tris-HCL
2	1	1	calcium acetate
3	1	1	2-methyl-2,4-pentane diol
4	1	1	H2O
5	1	2	calcium acetate
6	1	2	Tris-HCL
7	1	2	2-methyl-2,4-pentane diol
8	1	2	H2O

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	DNA	0.6 (mM)
2	1	drop	Tris-HCl	5 (mM)	pH7.5
3	1	drop	calcium acetate	120 (mM)
4	1	drop	MPD	16 (%)
5	1	reservoir	MPD	20 (%)