6UBU

1.60 A resolution structure of the guanine riboswitch bound to 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	2019-04-25
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.5406
Spacegroup name	C 1 2 1
Unit cell lengths	132.175, 35.260, 42.276
Unit cell angles	90.00, 90.86, 90.00

Refinement procedure

Resolution	19.660 - 1.600
R-factor	0.2022
Rwork	0.200
R-free	0.22000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4fe5
RMSD bond length	0.005
RMSD bond angle	1.022
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]	19.660	1.654
High resolution limit [Å]	1.597	1.597
Rmerge		0.361
Rmeas	0.131
Rpim	0.061
Number of reflections	37435	593
<I/σ(I)>	13.67	1.876
Completeness [%]	83.4	23.15
Redundancy	4.5	1
CC(1/2)		0.622

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	297	10 mM potassium HEPES pH 7.5, 20% v/v PEG 3000 MW, 40-50 mM cobalt hexamine, 600-650 mM ammonium acetate