8I3Z

Crystal structure of NAD-II riboswitch (two strands) with NMN at 1.67 angstrom

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	2023-01-08
Detector	DECTRIS EIGER2 X 4M
Wavelength(s)	0.97918
Spacegroup name	P 32 2 1
Unit cell lengths	81.271, 81.271, 61.855
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.590 - 1.670
R-factor	0.1688
Rwork	0.168
R-free	0.18560
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8hb1
RMSD bond length	0.012
RMSD bond angle	1.890
Data reduction software	DIALS
Data scaling software	DIALS
Phasing software	PHASER
Refinement software	PHENIX (dev_4788)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.670	1.710
High resolution limit [Å]	1.670	1.670
Rmerge	0.055	0.962
Rpim	0.014	0.387
Number of reflections	27501	1875
<I/σ(I)>	22.6	1.8
Completeness [%]	99.0
Redundancy	16
CC(1/2)	1.000	0.892

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	2.0 M Ammonium Sulfate