6WZR

Fusibacterium ulcerans ZTP riboswitch bound to p-1-pyridinyl AICA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-11-06
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.98
Spacegroup name	P 32 2 1
Unit cell lengths	89.991, 89.991, 122.834
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.240 - 3.200
R-factor	0.2103
Rwork	0.206
R-free	0.24870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5btp
RMSD bond length	0.001
RMSD bond angle	0.317
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.260
High resolution limit [Å]	3.200	8.670	3.200
Rmerge	0.083	0.042	1.503
Rmeas	0.088	0.045	1.588
Rpim	0.029	0.016	0.511
Total number of observations	95653
Number of reflections	9937	563	487
<I/σ(I)>	5.8
Completeness [%]	100.0	100	100
Redundancy	9.6	8.5	9.5
CC(1/2)		1.000	0.600

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	294	26% (w/v) PEG 4000, 100 mM Tris HCl pH 8.5, 180 mM Lithium Sulfate, 4% (v/v) PEG 400