340D

STRUCTURAL PARAMETERS FROM SINGLE-CRYSTAL STRUCTURES FOR ACCURATE MODELS OF A-DNA

Experimental procedure

Temperature [K]	298
Detector technology	AREA DETECTOR
Collection date	1995-10-25
Detector	SIEMENS HI-STAR
Spacegroup name	P 43 21 2
Unit cell lengths	43.180, 43.180, 25.120
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 1.600
R-factor	0.205
Rwork	0.205
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.450
Data reduction software	SAINT
Data scaling software	SAINT
Phasing software	X-PLOR
Refinement software	XTALVIEW

Data quality characteristics

	Overall
Low resolution limit [Å]	21.700
High resolution limit [Å]	1.470
Rmerge	0.034
Number of reflections	2556
Completeness [%]	66.0
Redundancy	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7		pH 7.00, VAPOR DIFFUSION

Crystallization Reagents

ID	crystal ID	solution ID	reagent name	concentration	details
1	1	1	WATER
2	1	2	CACL2