6Z18

Crystal structure of RNA-10mer: CCGG(N4,N4-dimethyl-C)GCCGG; R32 form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-12-11
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0000
Spacegroup name	H 3 2
Unit cell lengths	42.562, 42.562, 165.919
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	35.980 - 1.810
R-factor	0.2558
Rwork	0.254
R-free	0.28800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	CCGGCGCCGG dimer
RMSD bond length	0.006
RMSD bond angle	1.116
Data reduction software	XDS
Data scaling software	STARANISO
Phasing software	PHASER
Refinement software	PHENIX (1.18.1_3865)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.000	1.990
High resolution limit [Å]	1.810	1.810
Rmerge	0.071	1.430
Number of reflections	2771	231
<I/σ(I)>	16.4	1.8
Completeness [%]	85.8
Redundancy	11.4
CC(1/2)	1.000	0.770

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		292	10% v/v (+/-)-2-Methyl-2,4-pentanediol, 0.040 M Sodium cacodylate trihydrate pH 6.0, 0.012 M Spermine tetrahydrochloride, 0.012 M Sodium chloride, and 0.080 M Potassium chloride