7D7W

Crystal Structure of the Domain1 of NAD+ Riboswitch with nicotinamide adenine dinucleotide (NAD+)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-12-28
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97930
Spacegroup name	I 2 2 2
Unit cell lengths	55.392, 57.442, 196.444
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.034 - 2.391
R-factor	0.2175
Rwork	0.216
R-free	0.23550
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	2.440
High resolution limit [Å]	2.391	6.510	2.400
Rmerge	0.082	0.063	1.429
Rmeas	0.085	0.065	1.492
Rpim	0.024	0.019	0.425
Number of reflections	12783	718	615
<I/σ(I)>	5
Completeness [%]	99.7	99.3	100
Redundancy	12.8	11.1	12.1
CC(1/2)		0.998	0.928

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	0.1 M MES pH 6.5, 1.6 M MgSO4