5V2H

RNA octamer containing glycol nucleic acid, SgnT

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-03-19
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.91836
Spacegroup name	C 1 2 1
Unit cell lengths	79.029, 31.901, 33.782
Unit cell angles	90.00, 90.46, 90.00

Refinement procedure

Resolution	33.781 - 1.080
R-factor	0.13663673266
Rwork	0.136
R-free	0.15658
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.303
Data scaling software	HKL-2000 (v714)
Phasing software	SHELXD
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.781	1.119
High resolution limit [Å]	1.080	1.080
Rmerge	0.164	0.265
Rpim	0.069	0.265
Number of reflections	35479	3532
<I/σ(I)>	10.74	2.44
Completeness [%]	97.4	97.14
Redundancy	6.3	2
CC(1/2)	0.969	0.822

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	291	0.5 mM oligonucleotide, 40 mM sodium chloride, 10 mM magnesium chloride, 10 mM cobalt(III) hexamine chloride, 20 mM sodium cacodylate, 5% 2-methyl-2,4-pentanediol equilibrated against 40% 2-methyl-2-4-pentanediol