3VT2

Crystal structure of Ct1,3Gal43A in complex with isopropy-beta-D-thiogalactoside

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	2012-02-18
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9791
Spacegroup name	P 21 21 21
Unit cell lengths	107.226, 121.972, 405.208
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.714 - 3.002
R-factor	0.245
Rwork	0.245
R-free	0.27080
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.001
RMSD bond angle	0.421
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	0.172	0.104
Number of reflections	99156
<I/σ(I)>	7.2
Completeness [%]	84.2	78.3	86.8
Redundancy	5.3	5.5	4.7

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