3CA4

Sambucus nigra agglutinin II, tetragonal crystal form- complexed to lactose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM30A
Synchrotron site	ESRF
Beamline	BM30A
Temperature [K]	100
Detector technology	CCD
Collection date	2003-09-26
Detector	MAR CCD 165 mm
Wavelength(s)	0.9795
Spacegroup name	I 41 2 2
Unit cell lengths	126.124, 126.124, 76.039
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.550
R-factor	0.13272
Rwork	0.130
R-free	0.17896
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	Sambucus nigra agglutinin tetragonal crystal form
RMSD bond length	0.019
RMSD bond angle	1.781
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]	34.790	1.630
High resolution limit [Å]	1.550	1.550
Rmerge	0.041	0.142
Number of reflections	43092
<I/σ(I)>	23	7.6
Completeness [%]	96.7	78.7
Redundancy	4.6	2.8

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