8ZE7

Crystal Structure of Concanavalin A Complexed with Lysine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	BRUKER D8 QUEST
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-02-12
Detector	Bruker PHOTON II
Wavelength(s)	1.5406
Spacegroup name	I 2 2 2
Unit cell lengths	61.926, 86.214, 88.428
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	21.870 - 2.220
R-factor	0.19477
Rwork	0.192
R-free	0.24839
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.314
Data reduction software	PROTEUM PLUS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0411)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	21.870	2.290
High resolution limit [Å]	2.220	2.220
Rmerge	0.114	0.435
Rmeas	0.162	0.615
Number of reflections	12018	1102
<I/σ(I)>	18.1	3.5
Completeness [%]	99.9	100
Redundancy	1.9	1.9
CC(1/2)	0.975	0.763

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	293	2M Ammonium Sulphate, 0.1M Sodium Acetate (pH 5.0), PEG600 (5%), temperature 293.0 K