6WY3

Crystal structure of RNA-10mer: CCGG(N4,N4-dimethyl-C)GCCGG; P212121 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	2019-03-28
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	33.086, 36.184, 105.050
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.995 - 1.647
R-factor	0.1908
Rwork	0.190
R-free	0.21420
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ms9
RMSD bond length	0.006
RMSD bond angle	1.158
Data reduction software	HKL-3000
Data scaling software	STARANISO
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.995	1.687
High resolution limit [Å]	1.647	1.647
Rmerge	0.096	0.677
Rmeas	0.115	0.813
Rpim	0.061	0.442
Number of reflections	14279	709
<I/σ(I)>	6.7	2.4
Completeness [%]	90.8	80.4
Redundancy	3.4	3.1
CC(1/2)	0.993	0.606

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	10% v/v (+/-)-2-Methyl-2,4-pentanediol (MPD), 0.040 M Sodium cacodylate trihydrate pH 7.0, 0.012 M Spermine tetrahydrochloride, 0.08M Sodium chloride