4L24

Crystal structure of metallo-DNA duplex containing consecutive T-Hg(II)-T base pairs

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-1A
Synchrotron site	Photon Factory
Beamline	BL-1A
Temperature [K]	100
Collection date	2011-10-16
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	25.500, 41.270, 64.560
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.770 - 2.700
Rwork	0.258
R-free	0.26700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bna
RMSD bond length	0.006
RMSD bond angle	1.160
Data reduction software	CrystalClear
Data scaling software	CrystalClear
Phasing software	PHENIX
Refinement software	CNS

Data quality characteristics

	Overall
Low resolution limit [Å]	34.800
High resolution limit [Å]	2.700
Number of reflections	2064

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	277	Sodium Cacodylate, Spermine tetrahydrochloride, 2-methyl-2,4-pentanediol, ammonium chloride, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K