1MA8

A-DNA decamer GCGTA(UMS)ACGC with incorporated 2'-methylseleno-uridine

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 5ID-B
Synchrotron site	APS
Beamline	5ID-B
Temperature [K]	100
Detector technology	CCD
Collection date	2001-05-30
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	24.555, 43.967, 45.340
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 1.300
R-factor	0.154 *
Rwork	0.149
R-free	0.17300
Structure solution method	MAD
RMSD bond length	0.015
RMSD bond angle	0.023
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.350
High resolution limit [Å]	1.300	1.300
Rmerge	0.049 *	0.263 *
Number of reflections	23332
Completeness [%]	99.8	100
Redundancy	6.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	MPD, spermine tetrahydrochloride, potassium chloride, sodium chloride, sodium cacodylate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents

ID	crystal ID	solution ID	reagent name	concentration	details
1	1	1	MPD
2	1	1	spermine tetrahydrochloride
3	1	1	KCl
4	1	1	NaCl
5	1	1	sodium cacodylate
6	1	2	MPD
7	1	2	NaCl

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	DNA solution	2 (mM)
2	1	drop	sodium cacodylate	40 (mM)	pH7.0
3	1	drop		12 (mM)
4	1	drop		80 (mM)
5	1	drop	spermine tetrahydrochloride	12 (mM)
6	1	drop		10 (%(v/v))
7	1	reservoir	MPD	35 (%(v/v))