6YMI

Crystal structure of the SAM-SAH riboswitch with AMP.

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	86.506, 147.359, 74.844
Unit cell angles	90.00, 91.36, 90.00

Refinement procedure

Resolution	74.590 - 2.500
R-factor	0.2151
Rwork	0.214
R-free	0.24180
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6yl5
RMSD bond length	0.003
RMSD bond angle	0.797
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]	74.820	2.540
High resolution limit [Å]	2.500	2.500
Rmerge	0.111	0.830
Rpim	0.072	0.520
Number of reflections	57583	1582
<I/σ(I)>	8.3
Completeness [%]	99.2	98.6
Redundancy	3.4
CC(1/2)	0.990	0.550

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