6CN7

The structure of aerobactin synthetase IucC from a hypervirulent pathotype of Klebsiella pneumoniae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	110
Detector technology	PIXEL
Collection date	2017-04-08
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0332
Spacegroup name	P 1 21 1
Unit cell lengths	124.020, 197.690, 130.380
Unit cell angles	90.00, 109.60, 90.00

Refinement procedure

Resolution	58.067 - 2.450
R-factor	0.2142
Rwork	0.213
R-free	0.24030
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3x0q
RMSD bond length	0.003
RMSD bond angle	0.544
Data reduction software	iMOSFLM
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	58.100	2.540
High resolution limit [Å]	2.450	2.450
Number of reflections	215668
<I/σ(I)>	10
Completeness [%]	99.6
Redundancy	6.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	Cocktail: 10-11% PEG 20,000, 100 mM MES pH 6.0. Drop Ratio, 1:1. Protein, 5.5 mg/mL