1M26

Crystal structure of jacalin-T-antigen complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X31
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X31
Temperature [K]	278
Detector technology	IMAGE PLATE
Detector	MARRESEARCH
Wavelength(s)	1.100
Spacegroup name	P 1 21 1
Unit cell lengths	58.920, 78.000, 67.910
Unit cell angles	90.00, 100.73, 90.00

Refinement procedure

Resolution	20.000 * - 1.620
R-factor	0.189
Rwork	0.189
R-free	0.20500 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1jac
RMSD bond length	0.010
RMSD bond angle	26.800 *
Data reduction software	DENZO
Phasing software	AMoRE
Refinement software	CNS (0.9)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.580	1.650
High resolution limit [Å]	1.620	1.620
Rmerge	0.073	0.289 *
Total number of observations	188335 *
Number of reflections	74262	3714 *
Completeness [%]	96.7 *	95.8
Redundancy	2.5	1.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7.3	298	PEG 4000, 0.02M phosphate buffer at pH 7.3, VAPOR DIFFUSION, HANGING DROP at 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	drop	phosphate	0.02 (M)	pH7.3
3	1	drop		0.1 (M)
4	1	drop	sodium azide	0.025 (%(w/v))
5	1	drop	PEG4000	8-10 (%(w/v))
6	1	reservoir	PEG4000	40 (%)