4GRE

DNA holliday junction stabilized by iodine halogen bond. I2J Construct of related reference

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-BM-C
Synchrotron site	APS
Beamline	14-BM-C
Temperature [K]	133
Detector technology	CCD
Collection date	2004-10-31
Detector	ADSC QUANTUM 315
Wavelength(s)	1
Spacegroup name	C 1 2 1
Unit cell lengths	64.956, 24.773, 37.616
Unit cell angles	90.00, 111.59, 90.00

Refinement procedure

Resolution	19.570 - 1.700
Rwork	0.239
R-free	0.25500
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.100
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CNS
Refinement software	CNS (1.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.570	1.810
High resolution limit [Å]	1.700	1.700
Number of reflections	5772
Completeness [%]	91.4	78.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	hanging drop	7	298	0.7mM DNA, 25mM sodium cacodylate pH 7.0 buffer, 10-25mM calcium chloride, and 0.8-1.2mM spermine, equilibrated against a reservoir of 30-40% aqueous MPD, hanging drop, temperature 298 K