9KX8

Mistletoe Lectin I from Viscum album complexed with epimer form of lactose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-03-16
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.976210
Spacegroup name	P 65 2 2
Unit cell lengths	107.859, 107.859, 311.386
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.770 - 2.280
R-factor	0.2106
Rwork	0.209
R-free	0.23120
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.007
Data reduction software	XDS
Data scaling software	pointless
Phasing software	MOLREP
Refinement software	PHENIX ((1.21.2_5419: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.770	2.330
High resolution limit [Å]	2.280	2.280
Rmerge	0.056	0.069
Rmeas	0.057	0.072
Rpim	0.013	0.017
Number of reflections	48875	2047
<I/σ(I)>	37.7
Completeness [%]	98.0
Redundancy	15.8	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	2.5	293	0.2M Glycin, 30% AmSO4, 4% Dioxane