3VT1

Crystal structure of Ct1,3Gal43A in complex with galactose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2012-02-17
Detector	ADSC QUANTUM 315
Wavelength(s)	0.979305
Spacegroup name	P 21 21 21
Unit cell lengths	106.635, 122.533, 403.483
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.796 - 3.187
R-factor	0.2361
Rwork	0.235
R-free	0.26970
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.002
RMSD bond angle	0.532
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	PHENIX (1.7_650)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.310
High resolution limit [Å]	3.187	6.890	3.200
Rmerge	0.175	0.094	0.557
Number of reflections	88841
<I/σ(I)>	9.1
Completeness [%]	99.5	98.8	99.4
Redundancy	7.3	6.9	7.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	289	100mM sodium acetate, 2.9-3.3M sodium chloride, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K