5NZ6

The structure of the thermobifida fusca guanidine III riboswitch with guanidine in space group P3212.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-04-24
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.92019
Spacegroup name	P 32 1 2
Unit cell lengths	83.560, 83.560, 98.814
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	32.938 - 2.940
R-factor	0.1924
Rwork	0.191
R-free	0.21690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5nwq
RMSD bond length	0.009
RMSD bond angle	1.721
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX ((dev_2219: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.410	2.990
High resolution limit [Å]	2.940	2.940
Rmerge	0.101	1.658
Rpim	0.023	0.367
Number of reflections	16177	434
<I/σ(I)>	18.2	1.7
Completeness [%]	100.0	100
Redundancy	21.57	21.1
CC(1/2)	0.965	0.964

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	60% v/v Tacsimate pH 7.0