6TB7

Crystal structure of the ADP-binding domain of the NAD+ riboswitch with Adenosine monophosphate (AMP)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-10-20
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9186
Spacegroup name	I 2 2 2
Unit cell lengths	57.430, 59.450, 190.380
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.590 - 2.530
R-factor	0.2055
Rwork	0.203
R-free	0.23760
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	1.341
Data reduction software	xia2
Data scaling software	xia2
Phasing software	AutoSol
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.600	2.570
High resolution limit [Å]	2.530	2.530
Rmerge	0.053	1.800
Rmeas	0.058
Rpim	0.023	0.990
Number of reflections	20563	540
<I/σ(I)>	20.06	0.8
Completeness [%]	98.4	97.7
Redundancy	6.2
CC(1/2)	1.000	0.480

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	280	0.2 M Potassium Chloride, 0.1 M Mg Acetate, 0.05 M Sodium Cacodylate pH 7.0, 10% w/v Polyethylene Glycol 3350