1I2Y

1.66 A STRUCTURE OF A-DUPLEX WITH BULGED ADENOSINE, SPERMINE FORM

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 5ID-B
Synchrotron site	APS
Beamline	5ID-B
Temperature [K]	100
Detector technology	CCD
Collection date	1998-01-11
Detector	MARRESEARCH
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	30.530, 45.220, 162.020
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 1.660
R-factor	0.217 *
Rwork	0.217
R-free	0.24500 *
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011 *
RMSD bond angle	1.540 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall
Low resolution limit [Å]	20.000
High resolution limit [Å]	1.650 *
Rmerge	0.042 *
Number of reflections	26875 *
Completeness [%]	97.4 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	6	298	spermine, MPD. pH 6.0, VAPOR DIFFUSION, SITTING DROP at 298

Crystallization Reagents

ID	crystal ID	solution ID	reagent name	concentration	details
1	1	1	spermine
2	1	1	MPD
3	1	2	MPD

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	DNA	0.72 (mM)
2	1	reservoir	sodium cacodylate	20 (mM)
3	1	reservoir	spermine	25 (mM)
4	1	reservoir	MPD	40 (%)