4R75

Structure of the periplasmic binding protein AfuA from Actinobacillus pleuropneumoniae (exogenous sedoheptulose-7-phosphate bound)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	CCD
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9794
Spacegroup name	P 21 21 21
Unit cell lengths	47.405, 59.895, 106.014
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.276 - 1.278
R-factor	0.1731
Rwork	0.172
R-free	0.19040
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.636
Data scaling software	SCALA (3.3.20)
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.405	47.405	1.350
High resolution limit [Å]	1.278	4.040	1.278
Rmerge		0.035	0.530
Number of reflections	77210
<I/σ(I)>	14.3	15.3	1.4
Completeness [%]	98.3	93.6	97.5
Redundancy	4.1	4.2	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	0.2 M magnesium chloride, 0.1 M Tris, pH 6.5, 25% PEG3350, 20% glycerol, VAPOR DIFFUSION, SITTING DROP, temperature 298K