3VSZ

Crystal structure of Ct1,3Gal43A in complex with galactan

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	2012-03-21
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97930
Spacegroup name	P 21 21 21
Unit cell lengths	107.787, 122.600, 405.082
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.884 - 2.893
R-factor	0.2395
Rwork	0.239
R-free	0.26180
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.002
RMSD bond angle	0.559
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]	2.893	6.240	2.900
Rmerge	0.175	0.122	0.805
Number of reflections	114675
<I/σ(I)>	8.2
Completeness [%]	95.4	96.9	95.4
Redundancy	5.7	5.8	5.9

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