9YDI

Dickerson dodecamer RNA duplex containing an A/G mismatch.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	LIQUID ANODE
Source details	BRUKER METALJET
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-08-18
Detector	Bruker PHOTON III
Wavelength(s)	1.3412
Spacegroup name	C 1 2 1
Unit cell lengths	41.168, 34.964, 31.910
Unit cell angles	90.00, 128.93, 90.00

Refinement procedure

Resolution	16.010 - 1.030
R-factor	0.1724
Rwork	0.172
R-free	0.18310
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.435
Data reduction software	PROTEUM PLUS
Data scaling software	PROTEUM PLUS
Phasing software	MOLREP
Refinement software	PHENIX (1.21.1_5286)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	16.010	1.060
High resolution limit [Å]	1.030	1.030
Number of reflections	37549	2667
<I/σ(I)>	4.41
Completeness [%]	98.9
Redundancy	4.5
CC(1/2)	0.996	0.070

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	grown in drops containing 0.3 microliter of 1.0 mM RNA and 0.3 microliter of 10% 2-methyl-2,4-pentanediol (MPD), 12 mM spermine-4HCl, 20 mM MgCl2, 80 mM KCl, 40 mM sodium cacodylate, pH 7.0. The reservoirs contained 70 microliters 40% 2-methyl-2,4-pentanediol