6WZS

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-03-11
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.98395
Spacegroup name	P 32 2 1
Unit cell lengths	90.284, 90.284, 121.391
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.950 - 3.230
R-factor	0.2274
Rwork	0.224
R-free	0.25890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5btp
RMSD bond length	0.001
RMSD bond angle	0.258
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.310
High resolution limit [Å]	3.230	8.810	3.250
Rmerge	0.088	0.033	2.574
Rmeas	0.093	0.035	2.758
Rpim	0.030	0.012	0.968
Number of reflections	9567	544	471
<I/σ(I)>	3.9
Completeness [%]	100.0	100	99.4
Redundancy	9.4	8.5	7.6
CC(1/2)		1.000	0.173

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, 200 mM Lithium Sulfate