8XF4

Structure of the siderophore periplasmic binding protein FtsB from Streptococcus pyogenes with Bisucaberin 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	2022-05-27
Detector	DECTRIS PILATUS3 S 2M
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	59.974, 62.099, 67.926
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.800 - 2.000
Rwork	0.199
R-free	0.23400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8xeu
RMSD bond length	0.006
RMSD bond angle	1.529
Data reduction software	XDS (Jan 10, 2022 BUILT=20220120)
Data scaling software	Aimless (0.7.13)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.800	2.050
High resolution limit [Å]	2.000	2.000
Rmerge	0.075	0.996
Rpim	0.021	0.281
Number of reflections	17418	1236
<I/σ(I)>	25.2	2.9
Completeness [%]	98.6
Redundancy	13.2
CC(1/2)	1.000	0.817

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	150 mM KSCN 30% PEG-MME 2000