8XF8

High-resolution structure of the siderophore periplasmic binding protein FtsB from Streptococcus pyogenes with ferrioxamine B

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	2022-10-16
Detector	DECTRIS PILATUS3 S 2M
Wavelength(s)	1.0000
Spacegroup name	P 65
Unit cell lengths	76.223, 76.223, 102.502
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.500 - 1.150
Rwork	0.135
R-free	0.15290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8xeu
RMSD bond length	0.006
RMSD bond angle	1.669
Data reduction software	XDS (Jan 10, 2022 BUILT=20220120)
Data scaling software	Aimless (0.7.9)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.500	1.170
High resolution limit [Å]	1.150	1.150
Rmerge	0.058	0.928
Rpim	0.019	0.319
Number of reflections	113334	4502
<I/σ(I)>	20.9	2.3
Completeness [%]	94.9	76.5
Redundancy	10.3
CC(1/2)	0.999	0.721

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	50 mM zinc sulfate 25% PEG 550-MME 100 mM MES pH 6.5