6BPM

The crystal structure of the Ferric-Catecholate import receptor Fiu from K12 E. coli: Closed form (C21)

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 1 2 1
Unit cell lengths	191.432, 75.668, 136.870
Unit cell angles	90.00, 91.89, 90.00

Refinement procedure

Resolution	49.345 - 2.500
R-factor	0.2021
Rwork	0.199
R-free	0.25860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5fp1
RMSD bond length	0.007
RMSD bond angle	0.999
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]	49.350	2.600
High resolution limit [Å]	2.500	2.560
Rmerge	0.156	1.026
Rpim	0.147	0.950
Number of reflections	68066	4585
<I/σ(I)>	5.4	1.1
Completeness [%]	100.0	100
Redundancy	3.6	3.5
CC(1/2)	0.988	0.536

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	20% PEG 3350, 4% Polypropylene Glycol P400, 0.2 M NaCl, 0.1 M Tris