6LAU

the wildtype SAM-VI riboswitch bound to SAH

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	2018-07-08
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.102
Spacegroup name	P 1 21 1
Unit cell lengths	56.088, 85.021, 93.392
Unit cell angles	90.00, 105.78, 90.00

Refinement procedure

Resolution	39.729 - 3.109
R-factor	0.1937
Rwork	0.191
R-free	0.25160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6las
RMSD bond length	0.010
RMSD bond angle	1.380
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.10_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	40.000	3.150
High resolution limit [Å]	3.100	8.390	3.100
Rmerge	0.148	0.040	1.125
Rmeas	0.161	0.043	1.232
Rpim	0.061	0.016	0.492
Total number of observations	100278
Number of reflections	14922	752	676
<I/σ(I)>	2.7
Completeness [%]	97.8	94.6	91.5
Redundancy	6.7	6.6	6
CC(1/2)		0.999	0.669

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