1F4W

CRYSTAL STRUCTURE OF AN ANTI-CARBOHYDRATE ANTIBODY DIRECTED AGAINST VIBRIO CHOLERAE O1 IN COMPLEX WITH ANTIGEN

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	1999-02-12
Detector	MARRESEARCH
Spacegroup name	P 1 21 1
Unit cell lengths	45.670, 113.320, 46.210
Unit cell angles	90.00, 100.69, 90.00

Refinement procedure

Resolution	10.000 - 2.300
Rwork	0.197
R-free	0.26100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	STRUCTURE OF FAB NQ10/12.5
RMSD bond length	0.016
RMSD bond angle	0.045
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.400
High resolution limit [Å]	2.300	2.300
Rmerge	0.101	0.388
Total number of observations	138386 *
Number of reflections	20292
<I/σ(I)>	8.8
Completeness [%]	98.8	95.8
Redundancy	6.8	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.2 *	18 *	PEG 6000, sodium acetate, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	drop	Tris-HCl	20 (mM)
3	1	reservoir	PEG6000	15-18 (%)
4	1	reservoir	sodium acetate	50 (mM)