7Y2P

Crystal structure of CUG repeat RNA duplex containing A-U base pair and U-U mismatches

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL15A1
Synchrotron site	NSRRC
Beamline	BL15A1
Temperature [K]	100
Detector technology	CCD
Collection date	2021-11-22
Detector	RAYONIX MX300HE
Wavelength(s)	1.00000
Spacegroup name	P 32
Unit cell lengths	49.228, 49.228, 35.802
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	24.610 - 1.580
R-factor	0.2382
Rwork	0.236
R-free	0.25490
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7y2b
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	1.640
High resolution limit [Å]	1.580	3.400	1.580
Rmerge	0.049	0.034	0.398
Rmeas	0.051	0.036	0.418
Rpim	0.017	0.012	0.127
Total number of observations	126315
Number of reflections	12483	1087	1342
<I/σ(I)>	23.4
Completeness [%]	94.0	81.7	100
Redundancy	10.1	7.9	10.8
CC(1/2)		0.999	0.983

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	277	0.4 mM Oligonucleotide, 50 mM HEPES pH 6.5, 0.5 mM Spermine tetrahydrochloride, 10% MPD