8KEB

Crystal structure of 2'-dG-III riboswitch with 2'-dG

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-08-22
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97915
Spacegroup name	C 1 2 1
Unit cell lengths	139.516, 26.834, 65.227
Unit cell angles	90.00, 112.71, 90.00

Refinement procedure

Resolution	34.430 - 2.200
R-factor	0.2039
Rwork	0.202
R-free	0.24190
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.095
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	64.350	2.320
High resolution limit [Å]	2.200	2.200
Rmerge	0.031	1.704
Rpim	0.021	1.103
Number of reflections	11351	1337
<I/σ(I)>	15.3	0.6
Completeness [%]	96.6	80.1
Redundancy	3.2	3.2
CC(1/2)	0.999	0.378

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.4	291	0.08 M Sodium chloride, 0.01 M Potassium chloride, 0.01 M Magnesium chloride hexahydrate 0.04 M Sodium cacodylate trihydrate pH 6.4, 30% v/v (+/-)-2-Methyl-2,4-pentanediol, 0.012 M Spermine tetrahydrochloride, 0.1M Glycine.