6BPO

The crystal structure of the Ferric-Catecholate import receptor Fiu from K12 E. coli: Closed form (P1)

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	P 1
Unit cell lengths	81.674, 133.159, 135.100
Unit cell angles	101.50, 107.42, 92.88

Refinement procedure

Resolution	29.230 - 2.900
R-factor	0.199
Rwork	0.197
R-free	0.23800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5fp1
RMSD bond length	0.008
RMSD bond angle	1.090
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.310	2.950
High resolution limit [Å]	2.900	2.900
Rmerge	0.222	1.199
Rpim	0.151	0.802
Number of reflections	116009	5714
<I/σ(I)>	3.6
Completeness [%]	99.0	98.5
Redundancy	3.7	3.7
CC(1/2)		0.491

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	0.1 M Bis-Tris Propane, 20 % PEG3350, 0.2 M Na-Malonate