3VT0

Crystal structure of Ct1,3Gal43A in complex with lactose

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	2012-03-04
Detector	ADSC QUANTUM 315
Wavelength(s)	0.979150
Spacegroup name	P 21 21 21
Unit cell lengths	107.694, 122.376, 404.656
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.287 - 2.913
R-factor	0.2531
Rwork	0.253
R-free	0.26850
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.002
RMSD bond angle	0.463
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	3.000
High resolution limit [Å]	2.900	6.240	2.900
Rmerge	0.138	0.060	0.703
Number of reflections	117324
<I/σ(I)>	8.1
Completeness [%]	100.0	100	100
Redundancy	7.2	7.1	7.2

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