3CA6

Sambucus nigra agglutinin II (SNA-II)- tetragonal crystal form- complexed to Tn antigen

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	100
Detector technology	CCD
Collection date	2004-07-02
Detector	ADSC QUANTUM 4
Wavelength(s)	0.933
Spacegroup name	I 41 2 2
Unit cell lengths	127.042, 127.042, 75.492
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.400
R-factor	0.14327
Rwork	0.141
R-free	0.18730
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	Sambucus nigra agglutinin II (SNA-II) tetragonal crystal form
RMSD bond length	0.021
RMSD bond angle	1.922
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	REFMAC (5.2.0019)
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.410	1.440
High resolution limit [Å]	1.400	1.400
Rmerge	0.069	0.180
Number of reflections	60175
<I/σ(I)>	17.6	6.4
Completeness [%]	99.5	98.4
Redundancy	6.3	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	293	PROTEIN 16 MG/ML, AMMONIUM SULFATE 2.0 M, SODIUM ACETATE 100 mM, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K