6UC9

Guanine riboswitch bound to O6-cyclohexylmethyl guanine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-06-20
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.5406
Spacegroup name	C 1 2 1
Unit cell lengths	133.468, 35.171, 41.889
Unit cell angles	90.00, 91.55, 90.00

Refinement procedure

Resolution	19.860 - 1.941
R-factor	0.1893
Rwork	0.187
R-free	0.21110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4fe5
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.14-3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.860	2.011
High resolution limit [Å]	1.941	1.941
Rmerge	0.158	0.445
Rmeas	0.171	0.513
Rpim	0.064	0.248
Number of reflections	14355	1226
<I/σ(I)>	11.96	2.085
Completeness [%]	97.9	85.26
Redundancy	6.6	3.8
CC(1/2)		0.588

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		297	10 mM potassium HEPES pH 7.5, 22.6% v/v PEG 3000 MW, 35-45 mM cobalt hexamine, and 600-650 mM ammonium acetate