6I2J

Crystal structure of the ferric enterobactin receptor mutant (Q482A) from Pseudomonas aeruginosa (PfeA) in complex with enterobactin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2016-08-18
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.54
Spacegroup name	P 21 21 2
Unit cell lengths	86.964, 158.288, 78.474
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	79.140 - 2.960
R-factor	0.30187
Rwork	0.301
R-free	0.31574
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5m9b
RMSD bond length	0.011
RMSD bond angle	1.440
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	79.140	3.000
High resolution limit [Å]	2.960	2.960
Rmerge	0.071	0.627
Number of reflections	21785
<I/σ(I)>	21.7
Completeness [%]	93.3	92.3
Redundancy	6.3	4.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.5	294	PEG 8000 ADA Magnesium acetate