408D

STRUCTURAL BASIS FOR RECOGNITION OF A-T AND T-A BASE PAIRS IN THE MINOR GROOVE OF B-DNA

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	103
Detector technology	IMAGE PLATE
Collection date	1997-11-15
Detector	RIGAKU
Spacegroup name	C 1 2 1
Unit cell lengths	60.660, 30.200, 43.460
Unit cell angles	90.00, 123.59, 90.00

Refinement procedure

Resolution	20.000 - 2.100
R-factor	0.219
Rwork	0.219
R-free	0.24200
RMSD bond length	0.012
RMSD bond angle	1.290
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	16.000
High resolution limit [Å]	2.100	2.100 *
Rmerge	0.038	0.179 *
Total number of observations	12267 *
Number of reflections	3417
Completeness [%]	91.6 *	82.9 *
Redundancy	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	7.5	293	pH 7.50, VAPOR DIFFUSION, HANGING DROP, temperature 293.00K

Crystallization Reagents

ID	crystal ID	solution ID	reagent name	concentration	details
1	1	1	CALCIUM ACETATE
2	1	1	MPD
3	1	1	TRIS
4	1	2	CALCIUM ACETATE
5	1	2	MPD
6	1	2	TRIS