4L8Q

Crystal structure of Canavalia grandiflora seed lectin complexed with X-Man.

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	2008-08-27
Detector	MAR CCD 165 mm
Wavelength(s)	1.47
Spacegroup name	I 2 2 2
Unit cell lengths	63.422, 65.152, 106.708
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.290 - 2.300
R-factor	0.228
Rwork	0.226
R-free	0.26680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ovu
RMSD bond length	0.021
RMSD bond angle	2.121
Data scaling software	XSCALE
Phasing software	PHASER (2.1.4)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	10.290		2.360
High resolution limit [Å]	2.300	10.290	2.300
Rmerge	0.138	0.136	0.316
Number of reflections	10110	99	746
<I/σ(I)>	10	12.5	5.16
Completeness [%]	99.4	70.2	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	0.05 M cadmium sulfate hydrate, 0.1 M HEPES buffer, and 1.0 M sodium acetate trihydrate, VAPOR DIFFUSION, HANGING DROP, temperature 293K, pH 7.5