411D

DUPLEX [5'-D(GCGTA+TACGC)]2 WITH INCORPORATED 2'-O-METHOXYETHYL RIBONUCLEOSIDE

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	297
Detector technology	IMAGE PLATE
Collection date	1996-01-03
Detector	RIGAKU RAXIS II
Spacegroup name	P 21 21 21
Unit cell lengths	24.930, 44.590, 45.380
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 1.930
R-factor	0.168
Rwork	0.168
R-free	0.21000
RMSD bond length	0.009
RMSD bond angle	1.300
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall
Low resolution limit [Å]	22.700
High resolution limit [Å]	1.800
Rmerge	0.070
Number of reflections	4894
Completeness [%]	92.7
Redundancy	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6		pH 6.00, VAPOR DIFFUSION, HANGING DROP
1	VAPOR DIFFUSION, HANGING DROP	6		pH 6.00, VAPOR DIFFUSION, HANGING DROP
1	VAPOR DIFFUSION, HANGING DROP	6		pH 6.00, VAPOR DIFFUSION, HANGING DROP
1	VAPOR DIFFUSION, HANGING DROP	6		pH 6.00, VAPOR DIFFUSION, HANGING DROP

Crystallization Reagents

ID	crystal ID	solution ID	reagent name	concentration	details
1	1	1	SODIUM CACODYLATE
2	1	1	MAGNESIUM ACETATE
3	1	1	(NH4)2SO4
4	1	2	SODIUM CACODYLATE
5	1	2	MAGNESIUM ACETATE
6	1	2	(NH4)2SO4

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	oligonucleotide	0.8 (mM)
2	1	drop	sodium cacodylate	25 (mM)
3	1	drop	magnesium acetate	7.5 (mM)
4	1	drop	ammonium sulfate	850 (mM)
5	1	reservoir	sodium cacodylate	50 (mM)
6	1	reservoir	magnesium acetate	15 (mM)
7	1	reservoir	ammonium sulfate	1.7 (M)