352D

THE CRYSTAL STRUCTURE OF A PARALLEL-STRANDED PARALLEL-STRANDED GUANINE TETRAPLEX AT 0.95 ANGSTROM RESOLUTION

Experimental procedure

Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE BW7B
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	BW7B
Temperature [K]	100
Spacegroup name	P 1
Unit cell lengths	28.280, 34.780, 56.230
Unit cell angles	74.31, 77.68, 89.81

Refinement procedure

Resolution	? - 0.950
R-factor	0.152
Starting model (for MR)	NDB ENTRY UDF063 (PDB ENTRY 244D)
Data reduction software	DENZO
Refinement software	SHELXL93

Data quality characteristics

	Overall	Outer shell
High resolution limit [Å]	0.950	0.950 *
Rmerge	0.069 *	0.146 *
Number of reflections	112719	5470 *
Completeness [%]	88.8	85.9 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.6	4-6 *	pH 6.60, VAPOR DIFFUSION, HANGING DROP, temperature 278.00K
1	VAPOR DIFFUSION, HANGING DROP	6.6	4-6 *	pH 6.60, VAPOR DIFFUSION, HANGING DROP, temperature 278.00K

Crystallization Reagents

ID	crystal ID	solution ID	reagent name	concentration	details
1	1	1	WATER
10	1	2	CACL2
11	1	2	SPERMINE_HCL
12	1	2	NACL
2	1	1	MPD
3	1	1	NA CACODYLATE
4	1	1	CACL2
5	1	1	SPERMINE_HCL
6	1	1	NACL
7	1	2	WATER
8	1	2	MPD
9	1	2	NA CACODYLATE

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	sodium cacodylate-HCl	20 (mM)
10	1	reservoir	MPD	26-32 (%)
2	1	drop		12 (mM)
3	1	drop	spermine tetrahydrochloride	6 (mM)
4	1	drop		130-180 (mM)
5	1	drop	MPD	5 (%(v/v))
6	1	drop	d(TG4T)	1 (mM)
7	1	reservoir	sodium cacodylate-HCl	120 (mM)
8	1	reservoir		70 (mM)
9	1	reservoir		0.7-1 (M)