8Y4Y

Crystal structure of ferric iron-binding protein (FecB) from Vibrio alginolyticus in complex with ferric 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	2022-11-23
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.0
Spacegroup name	I 4 2 2
Unit cell lengths	100.497, 100.497, 205.983
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.060 - 2.510
R-factor	0.226
Rwork	0.224
R-free	0.26200
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.618
Data reduction software	HKL-2000
Data scaling software	XDS
Phasing software	REFMAC
Refinement software	PHENIX ((1.21RC1_5058: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.160	2.670
High resolution limit [Å]	2.510	2.510
Rmerge	0.106	1.457
Number of reflections	18412	18412
<I/σ(I)>	1.23	1.23
Completeness [%]	99.5
Redundancy	6.86

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293.15	0.1M HEPES pH7.5, 20% w/v Polyethylene glycol 10000