8T4C

Membrane-associated thioredoxin oxidoreductase FetE from Campylobacter jejuni

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-05-20
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.979490
Spacegroup name	P 1 21 1
Unit cell lengths	49.250, 43.380, 71.860
Unit cell angles	90.00, 108.41, 90.00

Refinement procedure

Resolution	46.730 - 1.500
R-factor	0.1572
Rwork	0.156
R-free	0.18320
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.081
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.600
High resolution limit [Å]	1.500	5.000	1.500
Rmerge	0.048	0.035	0.215
Rmeas	0.052	0.038	0.267
Number of reflections	46005	1324	7863
<I/σ(I)>	16.69
Completeness [%]	99.2
Redundancy	4.2
CC(1/2)	0.999	0.999	0.935

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	1.8 M ammonium sulfate, 0.1 M sodium acetate