1M77

Near Atomic Resolution Crystal Structure of an A-DNA Decamer d(CCCGATCGGG): Cobalt Hexammine Interactions with A-DNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	SIEMENS
Temperature [K]	298
Detector technology	AREA DETECTOR
Collection date	1993-09-22
Detector	NICOLET
Wavelength(s)	1.5418
Spacegroup name	P 43 21 2
Unit cell lengths	44.300, 44.300, 24.800
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 1.250
Rwork	0.163
R-free	0.18500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	fiber A-DNA
RMSD bond length	0.012 *
RMSD bond angle	3.400 *
Data reduction software	X-GEN (2.0)
Data scaling software	X-GEN (2.0)
Refinement software	X-PLOR

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.000	1.310
High resolution limit [Å]	1.250	1.250
Rmerge	0.055 *
Total number of observations	51067 *
Number of reflections	6929
Completeness [%]	90.0
Redundancy	7.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	298	cobalt hexammine, cacodylate, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents

ID	crystal ID	solution ID	reagent name	concentration	details
1	1	1	cobalt hexammine
2	1	1	cacodylate

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	DNA single strand	1 (mM)
2	1	drop	sodium cacodylate	40 (mM)	pH6.0
3	1	drop	cobalt hexammine chloride	0.5 (mM)
4	1	reservoir	MPD	50 (%(v/v))