6YML

Crystal structure of the SAM-SAH riboswitch with decarboxylated SAH

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	2019-09-15
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9188
Spacegroup name	P 3 1 2
Unit cell lengths	86.218, 86.218, 75.395
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	53.050 - 2.170
R-factor	0.1998
Rwork	0.198
R-free	0.23320
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6yl5
RMSD bond length	0.007
RMSD bond angle	1.488
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	75.400	2.200
High resolution limit [Å]	2.170	2.170
Rmerge	0.095	1.500
Rpim	0.033	1.000
Number of reflections	17121	867
<I/σ(I)>	9.4	0.6
Completeness [%]	100.0	100
Redundancy	9.7
CC(1/2)	0.997	0.355

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	293	0.01 M Magnesium Sulfate, 0.05 M Sodium Cacodylate pH 6.0, 1.8 M Lithium Sulfate monohydrate