2P34

Crystal structure of a lectin from Canavalia maritima seeds (CML) in complex with man1-4man-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
Wavelength(s)	1.438
Spacegroup name	P 32
Unit cell lengths	69.446, 69.446, 161.454
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	33.520 - 2.100
R-factor	0.17815
Rwork	0.175
R-free	0.23920
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.020
RMSD bond angle	2.143
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.520	2.155
High resolution limit [Å]	2.100	2.100
Rmerge	0.099	0.348
Number of reflections	49112
<I/σ(I)>	15.6
Redundancy	5.2	5.1

Crystallization Conditions

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