195D

X-RAY STRUCTURES OF THE B-DNA DODECAMER D(CGCGTTAACGCG) WITH AN INVERTED CENTRAL TETRANUCLEOTIDE AND ITS NETROPSIN COMPLEX

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	258
Detector technology	AREA DETECTOR
Spacegroup name	P 21 21 21
Unit cell lengths	25.490, 40.870, 67.019
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	6.000 - 2.300
R-factor	0.162
Rwork	0.162
RMSD bond length	0.015
RMSD bond angle	3.600
Refinement software	X-PLOR

Data quality characteristics

	Overall
High resolution limit [Å]	2.300
Rmerge	0.051 *
Number of reflections	2725

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	282	pH 7.50, VAPOR DIFFUSION, temperature 282.00K

Crystallization Reagents

ID	crystal ID	solution ID	reagent name	concentration	details
1	1	1	WATER
2	1	1	MPD
3	1	1	MGCL2
4	1	1	SPERMINE_HCL
5	1	2	WATER
6	1	2	MPD

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	oligonucleotide		1 equivalent of
2	1	drop			5 equivalent of
3	1	drop	spermine tetrachloride		1.8 equivalent of
4	1	drop	netropsin		1.2 equivalent of
5	1	drop	MPD	30 (%)
6	1	reservoir		40 (%)