6LAX

the mutant SAM-VI riboswitch (U6C) 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	2019-07-22
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.979
Spacegroup name	P 1 21 1
Unit cell lengths	45.892, 86.942, 93.626
Unit cell angles	90.00, 99.19, 90.00

Refinement procedure

Resolution	45.303 - 2.700
R-factor	0.1912
Rwork	0.189
R-free	0.23930
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6las
RMSD bond length	0.009
RMSD bond angle	1.158
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]	50.000	50.000	2.750
High resolution limit [Å]	2.700	7.320	2.700
Rmerge	0.142	0.073	0.929
Rmeas	0.158	0.081	1.029
Rpim	0.068	0.035	0.435
Number of reflections	19609	951	971
<I/σ(I)>	4.1
Completeness [%]	97.5	90.2	99.5
Redundancy	5.2	5.3	5.3
CC(1/2)		0.996	0.650

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	sodium acetate trihydrate, polyethylene glycol 4,000