341D

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

Experimental procedure

Temperature [K]	298
Detector technology	AREA DETECTOR
Collection date	1995-10-10
Detector	SIEMENS HI-STAR
Spacegroup name	P 43 21 2
Unit cell lengths	42.810, 42.810, 24.810
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	7.700 - 1.750
R-factor	0.185
Rwork	0.185
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.410
Data reduction software	SAINT
Data scaling software	SAINT
Phasing software	X-PLOR
Refinement software	XTALVIEW

Data quality characteristics

	Overall
Low resolution limit [Å]	30.300
High resolution limit [Å]	1.710
Rmerge	0.085
Number of reflections	2642
Completeness [%]	71.9
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	MGCL2