5JM7

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

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	110
Detector technology	CCD
Collection date	2014-04-13
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.96802
Spacegroup name	P 62 2 2
Unit cell lengths	106.790, 106.790, 264.720
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	52.340 - 2.400
R-factor	0.2151
Rwork	0.213
R-free	0.25480
Structure solution method	MAD
RMSD bond length	0.009
RMSD bond angle	1.069
Data reduction software	iMOSFLM
Phasing software	PHENIX
Refinement software	PHENIX ((1.10_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	52.340	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.093	0.726
Number of reflections	35840
<I/σ(I)>	14.26	2.77
Completeness [%]	100.0	100
Redundancy	9.6	9.7
CC(1/2)	0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	287	Cocktail: 500-750 mM ammonium sulfate, 100-250 mM potassium-sodium tartrate, 100 mM sodium citrate pH 5.6 Drop Ratio: 1:1 Protein: 5.5 mg/mL