7WIE

The THF-II riboswitch bound to 7DG

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-10-06
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979
Spacegroup name	P 31 2 1
Unit cell lengths	66.944, 66.944, 94.572
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.990 - 2.900
R-factor	0.1749
Rwork	0.173
R-free	0.20470
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7wi9
RMSD bond length	0.002
RMSD bond angle	0.644
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	AutoSol
Refinement software	PHENIX (1.20_4459)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.950
High resolution limit [Å]	2.900	7.860	2.900
Rmerge	0.091	0.070	1.132
Rmeas	0.094
Total number of observations	98354
Number of reflections	5770	531	519
<I/σ(I)>	11.7
Completeness [%]	99.7	99.3	96.8
Redundancy	9.4	8.2	8.3
CC(1/2)	0.944

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	100mM sodium citrate pH6.5, 1.5-2.5M Ammonium Sulfate