5U3G

Structure of the Dickeya dadantii ykkC riboswitch bound to guanidinium

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-08-14
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9791
Spacegroup name	I 2 2 2
Unit cell lengths	67.441, 78.371, 98.844
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	55.709 - 2.300
R-factor	0.1931
Rwork	0.192
R-free	0.21290
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.132
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall
Low resolution limit [Å]	55.709
High resolution limit [Å]	2.300
Rmerge	0.077
Number of reflections	11977
<I/σ(I)>	13.33
Completeness [%]	100.0
Redundancy	6.6
CC(1/2)	0.991

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	289	10 mM HEPES pH 7, 130 mM NaCl, 10 mM MgCl2, 1 mM guanidinium HCl, 20% (+/-)-2-methyl-2,4-pentanediol, 40 mM NaCacodylate pH 6, 12 mM spermine