8XFI

High-resolution structure of the siderophore periplasmic binding protein FtsB from Streptococcus pyogenes with ferrioxamine E bound (crystal form 2)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-02-08
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.0000
Spacegroup name	P 1 21 1
Unit cell lengths	61.415, 70.571, 69.073
Unit cell angles	90.00, 110.66, 90.00

Refinement procedure

Resolution	47.700 - 1.950
Rwork	0.192
R-free	0.23220
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8xeu
RMSD bond length	0.006
RMSD bond angle	1.574
Data reduction software	XDS (Feb 5, 2021 BUILT=20210323)
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER (2.8.3)
Refinement software	REFMAC (5.8.0419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.700	2.000
High resolution limit [Å]	1.950	1.950
Rmerge	0.086	0.883
Rpim	0.042	0.379
Number of reflections	40353	2812
<I/σ(I)>	12.9	2
Completeness [%]	99.9
Redundancy	6.6
CC(1/2)	0.998	0.730

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	100 mM BIS-TRIS pH 5.5 200 mM Magnesium choride 25% PEG3350