7WII

The THF-II riboswitch bound to NPR

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	66.605, 66.605, 93.060
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	33.300 - 2.750
R-factor	0.2061
Rwork	0.203
R-free	0.23760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7wi9
RMSD bond length	0.001
RMSD bond angle	0.365
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	AutoSol
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.800
High resolution limit [Å]	2.750	7.460	2.750
Rmerge	0.092	0.068	0.927
Rmeas	0.095
Total number of observations	111627
Number of reflections	6580	614	624
<I/σ(I)>	10
Completeness [%]	100.0	99.8	100
Redundancy	9.3	8.3	10.3
CC(1/2)	0.975

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