6VB8

Crystal structure of a lectin from Canavalia brasiliensis seed (ConBr) complexed with indole-3-acetic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LNLS BEAMLINE W01B-MX2
Synchrotron site	LNLS
Beamline	W01B-MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-05-18
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.458
Spacegroup name	I 2 2 2
Unit cell lengths	67.806, 72.427, 99.272
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.690 - 2.200
R-factor	0.2005
Rwork	0.199
R-free	0.23560
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ju9
RMSD bond length	0.004
RMSD bond angle	1.274
Data reduction software	XDS (March 15, 2019)
Data scaling software	SCALA (3.3.22)
Phasing software	MOLREP (10.2.31)
Refinement software	REFMAC (5.8.0241)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.690	2.320
High resolution limit [Å]	2.200	2.200
Rmerge	0.046	0.212
Rmeas	0.048	0.225
Rpim	0.013	0.073
Number of reflections	12527	1596
<I/σ(I)>	30.4	8.9
Completeness [%]	98.3	88.8
Redundancy	11.9	8.9
CC(1/2)	1.000	0.994

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	298	1.8 M ammonium sulfate, 0.2 M sodium chloride, 0.1 M HEPES, pH 8.5