8Y4V

Crystal structure of ferric iron-binding protein (FecB) from Vibrio alginolyticus in complex with citrate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NE3A
Synchrotron site	Photon Factory
Beamline	AR-NE3A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-06-06
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.00
Spacegroup name	P 21 21 21
Unit cell lengths	38.889, 132.844, 158.974
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.660 - 2.310
R-factor	0.2182
Rwork	0.217
R-free	0.24710
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.486
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	REFMAC
Refinement software	PHENIX ((1.21rc1_5058: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.660	2.370
High resolution limit [Å]	2.310	2.310
Rmerge	0.117	0.584
Rpim		0.277
Number of reflections	36899	11088
<I/σ(I)>	10.09	2.05
Completeness [%]	98.5	98.6
Redundancy	3.47	3.52
CC(1/2)	0.993	0.703

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293.15	100 mM NaOAc pH 4.5, 24% w/v Polyethylene glycol 4000