2P37

Crystal structure of a lectin from Canavalia maritima seeds (CML) in complex with man1-3man-OMe

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
Detector	MAR CCD 130 mm
Spacegroup name	P 32
Unit cell lengths	69.391, 69.391, 161.298
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	33.920 - 2.100
R-factor	0.19036
Rwork	0.187
R-free	0.25528
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.021
RMSD bond angle	2.218
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.920	2.155
High resolution limit [Å]	2.100	2.100
Rmerge	0.091	0.296
Number of reflections	50169
<I/σ(I)>	15.8	3
Redundancy	4.2	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	4.5-6.5M sodium formate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K