1KJ1

MANNOSE-SPECIFIC AGGLUTININ (LECTIN) FROM GARLIC (ALLIUM SATIVUM) BULBS COMPLEXED WITH ALPHA-D-MANNOSE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	1997-06-15
Detector	MARRESEARCH
Wavelength(s)	1.5418
Spacegroup name	C 1 2 1
Unit cell lengths	201.831, 43.516, 78.736
Unit cell angles	90.00, 112.26, 90.00

Refinement procedure

Resolution	20.000 - 2.200
R-factor	0.211
Rwork	0.211
R-free	0.25100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	SNOWDROP LECTIN (PDB ENTRY 1MSA)
RMSD bond length	0.007
RMSD bond angle	1.600
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (0.4)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.104	0.436
Total number of observations	102203 *
Number of reflections	29430	1791 *
<I/σ(I)>	14.4	2.3
Completeness [%]	90.3	55.8
Redundancy	3.5	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	294 *	Chandra, N.R., (1997) Acta Crystallogr., Sect.D, 53, 787. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	5.5 (mg/ml)
2	1	drop	phosphate-buffered saline	20 (mM)
3	1	reservoir	PEG8000	20 (%(w/v))
4	1	reservoir	phosphate-buffered saline	20 (mM)