9LKE

Crystal structure of Guanine-II riboswitch in complex with hypoxanthine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	80
Detector technology	PIXEL
Collection date	2022-11-22
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.10202
Spacegroup name	C 2 2 21
Unit cell lengths	37.927, 50.615, 218.614
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.350 - 2.260
R-factor	0.2303
Rwork	0.228
R-free	0.24970
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.061
Data reduction software	autoPROC
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.440	2.400
High resolution limit [Å]	2.260	2.260
Rmerge	0.062	0.680
Rmeas	0.067	0.739
Rpim	0.027	0.287
Number of reflections	10274	1630
<I/σ(I)>	17.5	3
Completeness [%]	99.8
Redundancy	11.8
CC(1/2)	0.998	0.950

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	0.08 M Sodium chloride, 0.04 M Sodium cacodylate trihydrate pH 7.0, 30% v/v (+/-)-2-Methyl-2,4-pentanediol, 0.012 M Spermine tetrahydrochloride