7UOD

Crystal structure of a lectin from Canavalia maritima seed (ConM) complexed with 2,4-dichloro-phenoxyacetic 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	2018-03-01
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.458
Spacegroup name	P 21 2 21
Unit cell lengths	68.182, 71.830, 98.809
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.750 - 1.600
R-factor	0.1998
Rwork	0.199
R-free	0.22720
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2cy6
RMSD bond length	0.012
RMSD bond angle	1.296
Data reduction software	autoPROC
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PDB-REDO

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.750	1.657
High resolution limit [Å]	1.600	1.600
Number of reflections	62417	5886
<I/σ(I)>	26.14	3.44
Completeness [%]	93.3	92.26
Redundancy	2
CC(1/2)	1.000	0.908

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	298	100 mM HEPES, 2.0 M Ammonium sulfate, 4% PEG 400