9VY2

Crystal structure of antitoxin VP14460 (PoNi)from Vibrio parahaemolyticus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	80
Detector technology	CCD
Collection date	2023-01-07
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.987
Spacegroup name	C 1 2 1
Unit cell lengths	117.830, 89.080, 82.810
Unit cell angles	90.00, 118.26, 90.00

Refinement procedure

Resolution	28.550 - 2.320
R-factor	0.2016
Rwork	0.198
R-free	0.25050
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1m38
RMSD bond length	0.003
RMSD bond angle	0.646
Data reduction software	HKL-2000
Data scaling software	xia2
Phasing software	PHASES
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.550	2.467
High resolution limit [Å]	2.320	2.382
Number of reflections	29639	2617
<I/σ(I)>	1.71
Completeness [%]	99.6
Redundancy	1.71
CC(1/2)	0.998	0.998

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	0.2 M sodium tartrate dibasic dihydrate, 20% w/v polyethylene glycol 3350