6YLB

Crystal structure of the SAM-SAH riboswitch with SAM

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)	0.9119
Spacegroup name	C 1 2 1
Unit cell lengths	87.113, 147.937, 74.839
Unit cell angles	90.00, 91.71, 90.00

Refinement procedure

Resolution	37.460 - 2.120
R-factor	0.2266
Rwork	0.225
R-free	0.26270
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6yl5
RMSD bond length	0.007
RMSD bond angle	1.223
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]	75.040	2.160
High resolution limit [Å]	2.120	2.120
Rmerge	0.087	1.150
Rpim	0.056	0.760
Number of reflections	98596	2658
<I/σ(I)>	7.4
Completeness [%]	99.9	100
Redundancy	3.3	3.2
CC(1/2)	0.990	0.360

Crystallization Conditions

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