6LAS

the wildtype SAM-VI riboswitch bound to SAM

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	80
Detector technology	PIXEL
Collection date	2018-06-01
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.979
Spacegroup name	P 1 21 1
Unit cell lengths	56.417, 84.214, 90.484
Unit cell angles	90.00, 105.79, 90.00

Refinement procedure

Resolution	39.631 - 2.708
R-factor	0.2083
Rwork	0.206
R-free	0.24390
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	1.206
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.10_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	40.000	2.750
High resolution limit [Å]	2.700	7.310	2.700
Rmerge	0.135	0.079	1.032
Rmeas	0.146	0.085	1.117
Rpim	0.056	0.033	0.423
Total number of observations	149872
Number of reflections	22210	1156	1097
<I/σ(I)>	3.6
Completeness [%]	99.7	99.5	99.9
Redundancy	6.7	6.2	6.8
CC(1/2)		0.997	0.682

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	0.1 M sodium acetate trihydrate pH 4.6, 10% w/v polyethylene glycol 4,000