7D81

Crystal Structure of the Domain2 of NAD+ Riboswitch with nicotinamide adenine dinucleotide (NAD+)

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	2019-11-09
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97853
Spacegroup name	P 32 2 1
Unit cell lengths	76.026, 76.026, 50.468
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.364 - 2.100
R-factor	0.2259
Rwork	0.224
R-free	0.25070
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7d7v
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.180
High resolution limit [Å]	2.100	4.520	2.100
Rmerge	0.081	0.046	1.132
Rmeas	0.083	0.048	1.167
Rpim	0.019	0.011	0.281
Total number of observations	191116
Number of reflections	10115	1085	995
<I/σ(I)>	5.4
Completeness [%]	100.0	99.9	100
Redundancy	18.9	18	16.2
CC(1/2)		0.999	0.875

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	0.2 M NaCl 0.1 M CHES pH 9.5, 50% PEG400