4U6K

Crystal structure of DNA/RNA duplex containing 2'-4'-BNA-NC

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	100
Detector technology	CCD
Collection date	2013-05-25
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.98
Spacegroup name	C 2 2 21
Unit cell lengths	43.920, 58.960, 102.440
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.610 - 1.500
Rwork	0.198
R-free	0.21560
Structure solution method	MAD
RMSD bond length	0.019
RMSD bond angle	2.013
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]	25.610	25.610	1.550
High resolution limit [Å]	1.500	3.230	1.500
Rmerge	0.056	0.037	0.280
Total number of observations	146347	13748	14758
Number of reflections	21282
<I/σ(I)>	17.1	49.2	5.4
Completeness [%]	98.0	92.4	98
Redundancy	6.82	6.28	6.98

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	Na Cacodylate, NaCl, Hexammine Cobalt, MPD
2