6BPN

The crystal structure of the Ferric-Catecholate import receptor Fiu from E. coli K12: Open form (C2221)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-11-06
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.987
Spacegroup name	C 2 2 21
Unit cell lengths	107.927, 148.945, 105.061
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.000 - 2.100
R-factor	0.177
Rwork	0.175
R-free	0.22010
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5fp1
RMSD bond length	0.007
RMSD bond angle	0.817
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.000	2.160
High resolution limit [Å]	2.100	2.100
Rmerge	0.142	0.818
Rpim	0.082	0.486
Number of reflections	49686	4026
<I/σ(I)>	10.5	2.4
Completeness [%]	100.0	100
Redundancy	7.7	7.4
CC(1/2)	0.997	0.881

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	2.5	293	1.0 M LiCl, 0.1 M Citrate, 20 % PEG 6000, 4% Polypropylene glycol P400