8XFA

Structure of the siderophore periplasmic binding protein FtsB mutant Y137A from Streptococcus pyogenes with ferrioxamine E bound

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	2022-03-23
Detector	DECTRIS PILATUS3 S 2M
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	58.817, 61.723, 69.590
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.177 - 1.850
Rwork	0.171
R-free	0.22030
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8xeu
RMSD bond length	0.005
RMSD bond angle	1.393
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]	46.200	1.890
High resolution limit [Å]	1.850	1.850
Rmerge	0.103	0.851
Rpim	0.030	0.292
Number of reflections	22069	1187
<I/σ(I)>	18.6	2.4
Completeness [%]	99.1
Redundancy	12.6
CC(1/2)	0.999	0.729

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	100 mM KSCN 30% PEG MME-550