8HB1

Crystal structure of NAD-II riboswitch (two strands) with NMN

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-08-29
Detector	DECTRIS EIGER2 X 4M
Wavelength(s)	0.91908
Spacegroup name	P 32 2 1
Unit cell lengths	82.314, 82.314, 63.248
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	35.640 - 2.230
R-factor	0.2274
Rwork	0.226
R-free	0.24960
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.931
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	AutoSol
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.310	2.290
High resolution limit [Å]	2.230	2.230
Rmerge	0.073	0.849
Rpim	0.017	0.224
Number of reflections	12413	900
<I/σ(I)>	22.4
Completeness [%]	100.0	100
Redundancy	19.2
CC(1/2)	0.999	0.973

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	291	2.0 M Ammonium Sulfate