7Y2B

Crystal structure of CUG repeat RNA duplex containing U-U mismatches

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE TPS 05A
Synchrotron site	NSRRC
Beamline	TPS 05A
Temperature [K]	100
Detector technology	CCD
Collection date	2021-02-05
Detector	RAYONIX MX300-HS
Wavelength(s)	1.00000
Spacegroup name	P 32 2 1
Unit cell lengths	49.262, 49.262, 36.140
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	24.630 - 1.880
R-factor	0.2172
Rwork	0.217
R-free	0.22240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1zev
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX (1.18.2_3874)
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	1.940
High resolution limit [Å]	1.870	4.030	1.870
Rmerge	0.059	0.040	0.383
Rmeas	0.063	0.043	0.404
Rpim	0.020	0.014	0.127
Total number of observations	44478
Number of reflections	4355	474	425
<I/σ(I)>	11.5
Completeness [%]	99.4	99.4	100
Redundancy	10.2	9.6	10.1
CC(1/2)		0.999	0.957

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	277	0.4 mM oligonucleotide, 3.5 mM Spermine tetrahydrochloride, 50 mM HEPES pH 6.5, 10% MPD