1F4Y

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	1999-03-20
Detector	MARRESEARCH
Spacegroup name	P 1 21 1
Unit cell lengths	40.690, 113.360, 45.580
Unit cell angles	90.00, 93.93, 90.00

Refinement procedure

Resolution	10.000 - 2.800
Rwork	0.226
R-free	0.35200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	STRUCTURE OF THE UNLIGANDED FAB FRAGMENT
RMSD bond length	0.018
RMSD bond angle	0.060
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	2.900
High resolution limit [Å]	2.800	2.800
Rmerge	0.078	0.296
Total number of observations	27225 *
Number of reflections	9638
<I/σ(I)>	8.6
Completeness [%]	94.5	91.3
Redundancy	2.8	2.7

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)