8HB3

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

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)	0.97918
Spacegroup name	P 32 2 1
Unit cell lengths	82.982, 82.982, 65.590
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.840 - 2.870
R-factor	0.2011
Rwork	0.201
R-free	0.20880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8hb1
RMSD bond length	0.005
RMSD bond angle	1.568
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	65.630	2.950
High resolution limit [Å]	2.870	2.870
Rmerge	0.062	1.300
Rpim	0.015	0.300
Number of reflections	6227	448
<I/σ(I)>	23.2	2.7
Completeness [%]	100.0	100
Redundancy	19	19.9
CC(1/2)	1.000	0.848

Crystallization Conditions

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