1DPL

A-DNA DECAMER GCGTA(T23)TACGC WITH INCORPORATED 2'-METHOXY-3'-METHYLENEPHOSPHATE-THYMIDINE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 5ID-B
Synchrotron site	APS
Beamline	5ID-B
Temperature [K]	120
Detector technology	CCD
Collection date	1999-06-15
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	24.627, 42.717, 46.906
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 0.830
R-factor	0.117
Rwork	0.115
R-free	0.12100
RMSD bond length	0.037
RMSD bond angle	0.019
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHELXS
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	0.900
High resolution limit [Å]	0.830	0.830
Rmerge	0.049
Total number of observations	422954 *
Number of reflections	47403
Completeness [%]	99.7	98.8
Redundancy	4.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6 *	293	SPERMINE, MGCL2, NACL, KCL, SODIUM CACODYLATE BUFFER, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents

ID	crystal ID	solution ID	reagent name	concentration	details
1	1	1	SPERMINE
2	1	1	SODIUM CACODYLATE BUFFER
3	1	1	MGCL2
4	1	1	NACL
5	1	1	KCL
6	1	2	MGCL2
7	1	2	NACL
8	1	2	KCL

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	decamer	1.25 (mM)	single strand
2	1	drop	sodium cacodylate	20 (mM)
3	1	drop	spermine	6 (mM)
4	1	drop		10 (mM)
5	1	drop		40 (mM)
6	1	reservoir	MPD	35 (%(v/v))