1J4S

Structure of Artocarpin: a Lectin with Mannose Specificity (Form 1)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Temperature [K]	293
Detector technology	AREA DETECTOR
Detector	SIEMENS-NICOLET
Spacegroup name	P 1 21 1
Unit cell lengths	69.880, 73.740, 60.640
Unit cell angles	90.00, 95.06, 90.00

Refinement procedure

Resolution	20.000 - 2.500
Rwork	0.199
R-free	0.26200
RMSD bond length	0.010
RMSD bond angle	1.700 *
Data reduction software	X-GEN
Data scaling software	X-GEN
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.650
High resolution limit [Å]	2.500	2.500
Rmerge	0.090	0.401
Total number of observations	54998 *
Number of reflections	17578
Completeness [%]	86.0	39.9
Redundancy	2.4	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.4	293	PBS Buffer, 20% PEG 1450, 10Mg/ml protein, pH 7.4, VAPOR DIFFUSION, temperature 293.0K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	20 (mg/ml)	pH7.4
2	1	drop		0.15 (M)
3	1	drop	methoxy PEG350	40 (%)
4	1	reservoir	methoxy PEG350	40 (%)