6TFE

Crystal structure of the ADP-binding domain of the NAD+ riboswitch with N6-Methyl-adenosine-5'-triphosphate (m6ATP)

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	57.350, 59.440, 190.070
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.520 - 2.300
R-factor	0.2403
Rwork	0.239
R-free	0.25710
Structure solution method	SAD
RMSD bond length	0.006
RMSD bond angle	1.099
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.520	2.340
High resolution limit [Å]	2.300	2.300
Rmerge	0.051	1.820
Rpim	0.023	0.760
Number of reflections	27515	697
<I/σ(I)>	16.1	1
Completeness [%]	99.2
Redundancy	6.3
CC(1/2)	0.999	0.590

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.2	280	0.2 M Potassium Chloride, 0.1 M Mg Acetate, 0.05 M Sodium Cacodylate pH 7.2, 10% w/v Polyethylene Glycol 3350