9VYD

Crystal structure of toxin-antitoxin complex VP14460-VP14465peptide from Vibrio parahaemolyticus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NFPSS BEAMLINE BL19U1
Synchrotron site	NFPSS
Beamline	BL19U1
Temperature [K]	80
Detector technology	CCD
Collection date	2023-11-13
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.987
Spacegroup name	P 43 21 2
Unit cell lengths	97.080, 97.080, 107.320
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	57.830 - 2.500
R-factor	0.2285
Rwork	0.224
R-free	0.26800
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.621
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	57.830	2.589
High resolution limit [Å]	2.500	2.500
Number of reflections	16207	1339
<I/σ(I)>	7.6
Completeness [%]	88.4
Redundancy	12.1
CC(1/2)	0.923	0.881

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	(1.0 M sodium citrate, 0.1 M CHES pH9.5