8QMG

Tobacco lectin Nictaba in apo state including I and Eu SAD datasets.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-06-05
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0332,2.0664,1.5326
Spacegroup name	P 1 21 1
Unit cell lengths	66.506, 145.973, 82.054
Unit cell angles	90.00, 95.95, 90.00

Refinement procedure

Resolution	71.230 - 2.300
R-factor	0.2094
Rwork	0.208
R-free	0.24560
Structure solution method	SAD
RMSD bond length	0.005
RMSD bond angle	0.557
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	CRANK2
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	81.610	81.610	2.440
High resolution limit [Å]	2.300	6.880	2.300
Rmeas	0.204	0.071	0.968
Number of reflections	128105	2589	8055
<I/σ(I)>	8.65	26.42	1.85
Completeness [%]	94.2	98	72.4
Redundancy	7.09	7.186	6.59
CC(1/2)	0.993	0.998	0.633

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		287	91 mM ZnAc, 91 mM ZnCl2, 91 mM Bis-Tris pH 7.5, 18 % Medium PEG smear