4R74

Structure of the periplasmic binding protein AfuA from Actinobacillus pleuropneumoniae (exogenous fructose-6-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)	0.9795
Spacegroup name	P 1 21 1
Unit cell lengths	43.202, 96.988, 145.075
Unit cell angles	90.00, 95.93, 90.00

Refinement procedure

Resolution	48.494 - 1.930
R-factor	0.154
Rwork	0.151
R-free	0.20180
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.125
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]	48.494	48.494	2.030
High resolution limit [Å]	1.930	6.100	1.930
Rmerge		0.033	0.817
Number of reflections	89478
<I/σ(I)>	14.2	20.4	0.9
Completeness [%]	100.0	99.9	99.9
Redundancy	7.6	7.5	7.5

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