391D

STRUCTURAL VARIABILITY AND NEW INTERMOLECULAR INTERACTIONS OF Z-DNA IN CRYSTALS OF D(PCPGPCPGPCPG)

Experimental procedure

Source type	SEALED TUBE
Source details	OTHER
Temperature [K]	290
Detector technology	DIFFRACTOMETER
Collection date	1988-01-01
Detector	SYNTEX P21
Spacegroup name	P 1 1 21
Unit cell lengths	49.870, 41.260, 21.910
Unit cell angles	90.00, 90.00, 97.12

Refinement procedure

Resolution	8.000 - 2.750
R-factor	0.199
Rwork	0.199
R-free	0.23800
RMSD bond length	0.007 *
RMSD bond angle	1.280 *
Data reduction software	SYNTEX (P21)
Data scaling software	SYNTEX (P21)
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall
Low resolution limit [Å]	34.900
High resolution limit [Å]	2.750
Rmerge	0.064
Number of reflections	2438
Completeness [%]	99.8
Redundancy	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	other *	6		Malinina, L., (1991) J. Crystal Growth, 110, 252. *

Crystallization Reagents

ID	crystal ID	solution ID	reagent name	concentration	details
1	1	1	WATER
2	1	1	SPERMINE TETRACLORIDE
3	1	1	NA CACODYLATE
4	1	1	2-METHYL-2,4-PENTANEDIOL
5	1	2	WATER
6	1	2	2-METHYL-2,4-PENTANEDIOL