5J4X

Structure of tetrameric jacalin complexed with Gal beta-(1,3) Gal-beta-OMe

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2015-08-25
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	58.629, 82.181, 63.060
Unit cell angles	90.00, 107.42, 90.00

Refinement procedure

Resolution	35.710 - 1.650
R-factor	0.19629
Rwork	0.194
R-free	0.24027
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ku8
RMSD bond length	0.020
RMSD bond angle	2.022
Data reduction software	iMOSFLM (1.0.5)
Data scaling software	SCALA
Phasing software	PHASER (2.3)
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.710	1.740
High resolution limit [Å]	1.650	1.650
Rmerge		0.443
Number of reflections	66777
<I/σ(I)>	10.5	1.9
Completeness [%]	98.9	92.8
Redundancy	5.8	2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	298	10 mM HEPES buffer (pH 7.4), 150 mM NaCl, 15% poly(ethylene glycol) 8000, 10% (v/v) isopropanol, 100mM HEPES (pH 7.4)