6YL5

Crystal structure of the SAM-SAH riboswitch with SAH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-12-01
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.912
Spacegroup name	C 1 2 1
Unit cell lengths	86.750, 147.610, 74.660
Unit cell angles	90.00, 92.07, 90.00

Refinement procedure

Resolution	74.610 - 1.700
R-factor	0.1736
Rwork	0.172
R-free	0.20040
Structure solution method	SAD
RMSD bond length	0.012
RMSD bond angle	1.901
Data reduction software	xia2
Data scaling software	xia2
Phasing software	SOLVE
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	74.750	1.730
High resolution limit [Å]	1.700	1.700
Rmerge	0.089	0.942
Rpim	0.057	0.586
Number of reflections	190284	4855
<I/σ(I)>	7.3	1.2
Completeness [%]	98.4
Redundancy	3.39
CC(1/2)	0.988	0.500

Crystallization Conditions

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