1UHY

Crystal structure of d(GCGATAGC): the base-intercalated duplex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	100
Detector technology	CCD
Collection date	2002-05-25
Detector	OXFORD PX210
Wavelength(s)	0.90
Spacegroup name	P 63 2 2
Unit cell lengths	37.000, 37.000, 65.300
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	65.000 * - 1.700
Rwork	0.224
R-free	0.23900
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	22.200 *
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	65.000 *	1.800
High resolution limit [Å]	1.700	1.700
Rmerge	0.101	0.215
Total number of observations	223225 *
Number of reflections	2919
<I/σ(I)>	4.7	3
Completeness [%]	89.7	83.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	4 *	2-methyl-2,4-pentandiol, hexamine cobalt chloride, sodium chloride, sodium cacodylate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K

Crystallization Reagents

ID	crystal ID	solution ID	reagent name	concentration	details
1	1	1	2-methyl-2,4-pentandiol
2	1	1	hexamine cobalt chloride
3	1	1	magnesium chloride
4	1	1	sodium cacodylate
5	1	2	hexamine cobalt chloride
6	1	2	magnesium chloride
7	1	2	sodium cacodylate

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	DNA	1.5 (mM)
2	1	reservoir	sodium cacodylate	50 (mM)	pH7.0
3	1	reservoir	hexamine cobalt chloride	2 (mM)
4	1	reservoir		100 (mM)
5	1	reservoir	MPD	10 (%(v/v))