4LTI

Dehydration/Rehydration of a Nucleic Acid system containing a Polypyridyl Ruthenium Complex at 74% relative humidity (4/7)

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	44.190, 44.190, 27.470
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.250 - 1.410
R-factor	0.13255
Rwork	0.131
R-free	0.16216
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3S80
RMSD bond length	0.021
RMSD bond angle	2.857
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]	31.250	1.450
High resolution limit [Å]	1.410	1.410
Number of reflections	5252
Completeness [%]	94.8	94.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING 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. Crystal was dehydrated to 74% relative humidity on the beamline using the HC1b., pH 6.3, VAPOR DIFFUSION, SITTING DROP, temperature 293K