3SD8

Crystal structure of Ara-FHNA decamer DNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2010-12-13
Detector	MARMOSAIC 300 mm CCD
Spacegroup name	P 21 21 21
Unit cell lengths	28.003, 42.855, 45.833
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.300 - 1.670
R-factor	0.19456
Rwork	0.191
R-free	0.23793
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ey2
RMSD bond length	0.012
RMSD bond angle	1.738
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CCP4 (MOLREP)
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.000	1.730
High resolution limit [Å]	1.670	1.670
Rmerge	0.059	0.387
Number of reflections	6138
<I/σ(I)>	54.1	5.8
Completeness [%]	97.6	97.4
Redundancy	8.8	9.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	291	1uL 1.5 mM DNA + 1 uL 40 mM sodium cacodylate, pH 6.0, 80 mM strontium chloride, 12mM spermine tetrahydrochloride, 10% MPD were equilibrated against a reservoir of 1 mL 35% MPD, VAPOR DIFFUSION, HANGING DROP, temperature 291K