7UN2

Crystal structure of a lectin from Canavalia maritima seed (ConM) complexed with Indole-3-butyric 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	2018-02-28
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.458
Spacegroup name	P 21 2 21
Unit cell lengths	67.990, 71.843, 98.868
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.990 - 1.800
R-factor	0.2045
Rwork	0.203
R-free	0.23330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2cy6
RMSD bond length	0.009
RMSD bond angle	1.665
Data reduction software	autoPROC
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.12)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.990	1.864
High resolution limit [Å]	1.800	1.800
Number of reflections	45553	4472
<I/σ(I)>	27.87	4.58
Completeness [%]	99.7	99.78
Redundancy	2	2
CC(1/2)	1.000	0.961

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	100 mM HEPES pH 7.5, 4% PEG 400, 2.0 M ammonium sulfate