5MZS

Crystal structure of the ferric enterobactin receptor (PfeA) mutant (R480A_Q482A) from Pseudomonas aeruginosa

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-04-28
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.96858
Spacegroup name	P 21 21 2
Unit cell lengths	90.230, 156.860, 76.580
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	76.580 - 2.670
R-factor	0.22021
Rwork	0.218
R-free	0.26597
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5m9b
RMSD bond length	0.012
RMSD bond angle	1.473
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	76.580	2.720
High resolution limit [Å]	2.670	2.670
Rmerge	0.105	1.197
Number of reflections	31598	9471
<I/σ(I)>	15.5	1.4
Completeness [%]	99.9	99.9
Redundancy	6.9	6.1
CC(1/2)	0.998	0.662

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.5	293	PEG 8000, ADA, magnesium acetate