8J4J

X-ray structure of a ferric ion-binding protein A (FbpA) from Vibrio metschnikovii in complex with ferric ion

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-12-02
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.899995
Spacegroup name	P 63 2 2
Unit cell lengths	91.522, 91.522, 150.454
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.780 - 2.150
R-factor	0.17301
Rwork	0.169
R-free	0.24188
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.528
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.820	2.160
High resolution limit [Å]	2.150	2.150
Number of reflections	38034	1457
<I/σ(I)>	11.02	1.19
Completeness [%]	99.5
Redundancy	10.26
CC(1/2)	0.999	0.789

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293.15	0.2 M magnesium formate dihydrate, 20% w/v PEG 3350