7WGU

Crystal structure of metal-binding protein EfeO from Escherichia coli

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B1
Synchrotron site	SPring-8
Beamline	BL26B1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-02-13
Detector	DECTRIS EIGER R 4M
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	139.907, 51.877, 117.379
Unit cell angles	90.00, 112.44, 90.00

Refinement procedure

Resolution	48.150 - 1.850
R-factor	0.2015
Rwork	0.199
R-free	0.24410
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5y4c
RMSD bond length	0.006
RMSD bond angle	0.817
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	PHENIX ((1.18.2_3874: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.150	1.960
High resolution limit [Å]	1.850	1.850
Rmerge	0.039	0.400
Rmeas	0.046	0.469
Number of reflections	65646	9994
<I/σ(I)>	18.5	2.48
Completeness [%]	97.7	92.8
Redundancy	3.8	3.4
CC(1/2)	0.999	0.918

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	293	160 mM ammonium sulfate, 80 mM sodium acetate trihydrate (pH 4.6), 20% PEG 4000, 20% glycerol 20% ethylene glycol