4R72

Structure of the periplasmic binding protein AfuA from Actinobacillus pleuropneumoniae (apo form)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	CCD
Detector	RAYONIX MX-300
Wavelength(s)	0.9795
Spacegroup name	C 2 2 21
Unit cell lengths	57.950, 80.820, 126.040
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.095 - 1.600
R-factor	0.1609
Rwork	0.159
R-free	0.19870
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.635
Data scaling software	SCALEPACK
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.095	47.100	1.650
High resolution limit [Å]	1.600	6.400	1.600
Number of reflections	38225
Completeness [%]		99.9	78.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	298	0.2 M magnesium chloride, 0.1 M MES/NaOH, pH 6.0, 27.5% PEG3350, 20% glycerol, VAPOR DIFFUSION, SITTING DROP, temperature 298K