5NEQ

The structure of the G. violaceus guanidine II riboswitch P1 stem-loop with aminoguanidine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-03-04
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9201
Spacegroup name	H 3 2
Unit cell lengths	55.463, 55.463, 130.276
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.658 - 1.690
R-factor	0.2178
Rwork	0.216
R-free	0.25240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5neo
RMSD bond length	0.011
RMSD bond angle	1.777
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHENIX
Refinement software	PHENIX ((dev_2219: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.660	1.720
High resolution limit [Å]	1.690	1.690
Rmerge	0.072	1.500
Rpim	0.020	0.713
Number of reflections	16376	436
<I/σ(I)>	13.7
Completeness [%]	99.8	99.5
Redundancy	14.13	13.4
CC(1/2)	0.999	0.866

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.01 M Magnesium Acetate, 0.05 M MES pH 5.6, 2.5 M Ammonium Sulfate