7D7V

Crystal Structure of the Domain1 of NAD+ Riboswitch with nicotinamide adenine dinucleotide (NAD+) and U1A protein

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	P 61 2 2
Unit cell lengths	68.593, 68.593, 333.848
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 2.800
Rwork	0.250
R-free	0.30800
Structure solution method	SAD
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	AutoSol
Refinement software	PHENIX (v1.14)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.900
High resolution limit [Å]	2.800	6.030	2.800
Rmerge	0.082	0.061	0.761
Rmeas	0.084	0.062	0.779
Rpim	0.016	0.012	0.154
Number of reflections	12481	1452	1191
<I/σ(I)>	5.1
Completeness [%]	99.6	100	99.2
Redundancy	21.4	25.6	19.8
CC(1/2)		0.999	0.957

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	0.2 M Mg(OAc)2, 0.1 M C2H6AsNaO2, pH 6.5, 30% MPD