8KHH

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-04-23
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.97918
Spacegroup name	C 1 2 1
Unit cell lengths	138.727, 58.621, 57.182
Unit cell angles	90.00, 96.67, 90.00

Refinement procedure

Resolution	31.100 - 2.300
R-factor	0.2388
Rwork	0.238
R-free	0.25250
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.754
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	68.890	2.420
High resolution limit [Å]	2.300	2.300
Rmerge	0.104	1.902
Rpim	0.048	1.149
Number of reflections	20324	2853
<I/σ(I)>	10.1	0.6
Completeness [%]	99.3	95.7
Redundancy	5.3	3.5
CC(1/2)	0.998	0.330

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.