6YMJ

Crystal structure of the SAM-SAH riboswitch with adenosine.

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	2020-02-02
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9119
Spacegroup name	C 1 2 1
Unit cell lengths	86.599, 147.570, 75.013
Unit cell angles	90.00, 91.36, 90.00

Refinement procedure

Resolution	37.340 - 2.040
R-factor	0.1993
Rwork	0.198
R-free	0.23250
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6yl5
RMSD bond length	0.002
RMSD bond angle	0.479
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]	74.990	2.080
High resolution limit [Å]	2.040	2.040
Rmerge	0.054	1.300
Rpim	0.035	0.860
Number of reflections	90426	2973
<I/σ(I)>	11	0.2
Completeness [%]	99.8	99.8
Redundancy	3.3	3.4
CC(1/2)	0.997	0.330

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