7WIA

The apo-form of THF-II C22G riboswitch

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	2021-07-22
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979
Spacegroup name	P 31 2 1
Unit cell lengths	66.420, 66.420, 93.409
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	18.130 - 3.220
R-factor	0.1716
Rwork	0.170
R-free	0.20700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7wi9
RMSD bond length	0.001
RMSD bond angle	0.449
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	3.100
High resolution limit [Å]	3.050	8.270	3.050
Rmerge	0.152	0.104	0.954
Rmeas	0.156
Total number of observations	80579
Number of reflections	4001	443	444
<I/σ(I)>	6.6
Completeness [%]	99.9	99.6	99.6
Redundancy	9	7.4	7.4
CC(1/2)	0.961

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	20mM HEPES pH7.5, 20-25% PEG 3350