6R1F

Crystal structure of the ferric enterobactin receptor mutant R480A from Pseudomonas aeruginosa (PfeA) in complex with enterobactin

Replaces:  6I2L

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	2019-02-28
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.96860
Spacegroup name	P 21 21 2
Unit cell lengths	86.500, 157.260, 78.000
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.510 - 3.110
R-factor	0.21413
Rwork	0.212
R-free	0.25644
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6q5e
RMSD bond length	0.011
RMSD bond angle	1.322
Data reduction software	XDS
Data scaling software	DIALS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.510	3.160
High resolution limit [Å]	3.110	3.110
Rmerge	0.087
Number of reflections	19766	968
<I/σ(I)>	14.2	1.1
Completeness [%]	100.0	100
Redundancy	7.5	8.8
CC(1/2)	0.999	0.520

Crystallization Conditions

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