5OUT

CRYSTAL STRUCTURE OF THE FERRIC ENTEROBACTIN RECEPTOR (PFEA) MUTANT (G324V) FROM PSEUDOMONAS AERUGINOSA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2016-08-26
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.54178
Spacegroup name	P 21 21 2
Unit cell lengths	87.680, 158.130, 77.880
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.080 - 2.900
R-factor	0.2552
Rwork	0.253
R-free	0.29651
RMSD bond length	0.007
RMSD bond angle	1.255
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.080	2.950
High resolution limit [Å]	2.900	2.900
Rmerge	0.106	1.377
Number of reflections	19876
<I/σ(I)>	12.7	1.4
Completeness [%]	80.4	81.9
Redundancy	3.5	3.5
CC(1/2)	0.998	0.669

Crystallization Conditions

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