3JU9

Crystal structure of a lectin from Canavalia brasiliensis seed (ConBr) complexed with alpha-aminobutyric acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LNLS BEAMLINE D03B-MX1
Synchrotron site	LNLS
Beamline	D03B-MX1
Temperature [K]	100
Detector technology	CCD
Collection date	2008-07-25
Wavelength(s)	1.42
Spacegroup name	I 2 2 2
Unit cell lengths	68.323, 73.020, 99.542
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.510 - 2.100
R-factor	0.20676
Rwork	0.204
R-free	0.25268
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1azd
RMSD bond length	0.015
RMSD bond angle	1.719
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	58.930	2.210
High resolution limit [Å]	1.775	2.100
Rmerge	0.069	0.196
Number of reflections	14784

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	1.8 M ammonium sulfate, 0.2 M sodium chloride, 0.1 M HEPES, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K