1UHX

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-18B
Synchrotron site	Photon Factory
Beamline	BL-18B
Temperature [K]	100
Detector technology	CCD
Collection date	2002-06-01
Detector	ADSC QUANTUM 4
Wavelength(s)	1.0
Spacegroup name	P 63 2 2
Unit cell lengths	37.670, 37.670, 65.490
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 2.000
Rwork	0.220
R-free	0.27800
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	21.700 *
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]	29.000 *	2.100
High resolution limit [Å]	2.000	2.000
Rmerge	0.075	0.323
Total number of observations	104504 *
Number of reflections	2142
<I/σ(I)>	4.9	2.4
Completeness [%]	100.0	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	4 *	2-methyl-2,4-pentandiol, hexamine cobalt chloride, magnesium chloride, sodium succinate, 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 succinate
5	1	2	hexamine cobalt chloride
6	1	2	magnesium chloride
7	1	2	sodium succinate

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	DNA	0.5 (mM)
2	1	reservoir	sodium succinate	50 (mM)	pH7.0
3	1	reservoir	hexamine cobalt chloride	1 (mM)
4	1	reservoir		10 (mM)
5	1	reservoir	MPD	20 (%(v/v))