4LTF

Dehydration/Rehydration of a Nucleic Acid system containing a Polypyridyl Ruthenium Complex at 97% relative humidity(1/7)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	298
Detector technology	PIXEL
Collection date	2012-12-13
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.8266
Spacegroup name	P 43 21 2
Unit cell lengths	42.980, 42.980, 39.510
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.090 - 1.500
R-factor	0.13788
Rwork	0.137
R-free	0.15756
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3qrn
RMSD bond length	0.015
RMSD bond angle	2.668
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.090	1.540
High resolution limit [Å]	1.500	1.500
Number of reflections	5576
Completeness [%]	89.4	93.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.3	293	1ul 1mM d(TCGGCGCCGA)2, 1ul 4mM lambda-[Ru(TAP)2(dppz)]2+, 6ul 12mM spermine, 10% MPD, 40mM sodium cacodylate, 80mM KCl, 20mM BaCl2. Equilibriated against 1ml 35% MPD, pH 6.3, VAPOR DIFFUSION, HANGING DROP, temperature 293K