8KA0

Crystal structure of Vibrio vulnificus RID-dependent transforming NADase domain (RDTND)/calmodulin-binding domain of Rho inactivation domain (RID-CBD) complexed with Ca2+-bound calmodulin and a nicotinamide adenine dinucleotide (NAD+)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-03-24
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.000
Spacegroup name	P 1 21 1
Unit cell lengths	136.222, 48.931, 178.603
Unit cell angles	90.00, 95.70, 90.00

Refinement procedure

Resolution	29.620 - 2.350
R-factor	0.22
Rwork	0.217
R-free	0.26300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8k9z
RMSD bond length	0.011
RMSD bond angle	1.033
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0415)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.620	2.390
High resolution limit [Å]	2.350	2.350
Number of reflections	98734	4831
<I/σ(I)>	11.6
Completeness [%]	99.8	99.9
Redundancy	6.9
CC(1/2)	0.999	0.675

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	0.1 M Tris-HCl (pH 8.5), 32.5% (w/v) PEG 4000 and 0.15 M sodium acetate. 10 mM NAD+ soaking