1G9F

CRYSTAL STRUCTURE OF THE SOYBEAN AGGLUTININ IN A COMPLEX WITH A BIANTENNARY BLOOD GROUP ANTIGEN ANALOG

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	298
Detector technology	AREA DETECTOR
Collection date	1997-01-01
Detector	SIEMENS
Wavelength(s)	1.5418
Spacegroup name	I 41 2 2
Unit cell lengths	122.640, 122.640, 90.560
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.500
R-factor	0.19
Rwork	0.190
R-free	0.23000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	soybean agglutinin
RMSD bond length	0.007
RMSD bond angle	1.400
Data reduction software	X-GEN
Data scaling software	X-GEN
Phasing software	X-PLOR
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.250
High resolution limit [Å]	2.200	2.200
Rmerge	0.128
Total number of observations	72368 *
Number of reflections	19716 *
<I/σ(I)>	12	3.7
Completeness [%]	80.0	72.7 *
Redundancy	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6 *	293	protein,carbohydrate,HEPES,CaCl(2),MnCl(2),NaCl, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	protein	5-7 (mg/ml)
2	1	reservoir	sodium citrate	100 (mM)
3	1	reservoir	PEG6000	8-12 (%(w/v))
4	1	reservoir		0.2-0.4 (M)