6IFA

Structure of beta-trefoil lectin from Entamoeba histolytica

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-07-14
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.9660
Spacegroup name	I 4 2 2
Unit cell lengths	101.732, 101.732, 183.996
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.000 - 1.900
R-factor	0.1962
Rwork	0.194
R-free	0.23640
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.801
Data reduction software	XDS (2018-04-27)
Data scaling software	XDS (2018-04-27)
Phasing software	PHASER (2.7.0)
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.000	2.010
High resolution limit [Å]	1.900	1.900
Number of reflections	38368	6102
<I/σ(I)>	13.88	1.75
Completeness [%]	99.9	99.8
Redundancy	13.23	12.43
CC(1/2)	0.990	0.840

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289.15	20% iso-propanol, 0.1M MES monohydrate, pH 6.0, 20% PEG monomethyl ether 2000