8K9Z

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

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	2022-02-24
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9797
Spacegroup name	C 1 2 1
Unit cell lengths	243.374, 49.778, 135.746
Unit cell angles	90.00, 119.35, 90.00

Refinement procedure

Resolution	48.510 - 2.900
R-factor	0.26699
Rwork	0.265
R-free	0.30408
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	in-house model
RMSD bond length	0.016
RMSD bond angle	1.102
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	2.950
High resolution limit [Å]	2.900	2.900
Number of reflections	31976	1543
<I/σ(I)>	9.3
Completeness [%]	99.3
Redundancy	6.3
CC(1/2)	0.995	0.581

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	17% (w/v) PEG 3350 and 0.18 M magnesium acetate