4U6L

Crystal structure of DNA/RNA duplex obtained in the presence of [Co(NH3)6]Cl3 and SrCl2

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	100
Detector technology	CCD
Collection date	2013-10-27
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.60366, 1.60546, 1.0
Spacegroup name	P 61
Unit cell lengths	48.520, 48.520, 46.520
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.020 - 1.900
Rwork	0.251
R-free	0.27520
Structure solution method	MAD
RMSD bond length	0.006
RMSD bond angle	1.268
Data reduction software	CrystalClear
Data scaling software	d*TREK
Phasing software	PHENIX
Refinement software	CNS

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	42.020	42.020	1.970
High resolution limit [Å]	1.900	4.090	1.900
Rmerge	0.030	0.015	0.316
Total number of observations	53970	5548	5493
Number of reflections	4976
<I/σ(I)>	32.6	118.1	6.4
Completeness [%]	99.8	98.1	100
Redundancy	10.76	10.9	10.83

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	Na Cacodylate, Hexammine Cobalt Chloride, SrCl2, MPD