8KA1

Crystal structure of Vibrio vulnificus RID-dependent transforming NADase domain (RDTND)/calmodulin-binding domain of Rho inactivation domain (RID-CBD) complexed with Ca2+-free calmodulin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 11C
Synchrotron site	PAL/PLS
Beamline	11C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-03-03
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9794
Spacegroup name	P 1 21 1
Unit cell lengths	106.032, 88.081, 136.954
Unit cell angles	90.00, 90.14, 90.00

Refinement procedure

Resolution	49.530 - 2.820
R-factor	0.275
Rwork	0.271
R-free	0.34150
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8k9z
RMSD bond length	0.013
RMSD bond angle	1.044
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0415)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.870
High resolution limit [Å]	2.820	2.820
Number of reflections	55183	2330
<I/σ(I)>	5.3
Completeness [%]	98.1
Redundancy	4.7
CC(1/2)	0.988	0.561

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	20% (w/v) PEG 3350, 0.1 M HEPES-NaOH (pH 7.5), 0.28 M MgCl2, and 6 mM MnCl2