7ABW

Crystal structure of siderophore reductase FoxB

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, DESY BEAMLINE P11
Synchrotron site	PETRA III, DESY
Beamline	P11
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-05-07
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.987
Spacegroup name	P 21 21 2
Unit cell lengths	237.065, 114.321, 64.382
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.360 - 3.350
R-factor	0.2663
Rwork	0.265
R-free	0.29880
Structure solution method	AB INITIO PHASING
RMSD bond length	0.014
RMSD bond angle	2.001
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	SHELXCD
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.400	3.717
High resolution limit [Å]	3.350	3.350
Rmerge	0.062	1.400
Rmeas	0.066	1.480
Rpim	0.021	0.990
Number of reflections	15384	759
<I/σ(I)>	22.7	2.8
Completeness [%]	92.5	73.3
Redundancy	19.3	13.3
CC(1/2)	0.998	0.839

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		289	30% PEG600 100 mm Bicine pH9 100 mM ZnSO4