2E27

Crystal structure of Fv fragment of anti-ciguatoxin antibody complexed with ABC-ring of ciguatoxin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NW12A
Synchrotron site	Photon Factory
Beamline	AR-NW12A
Temperature [K]	100
Detector technology	CCD
Collection date	2003-11-14
Detector	ADSC QUANTUM 210
Wavelength(s)	1.000
Spacegroup name	I 21 21 21
Unit cell lengths	47.219, 97.502, 115.722
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.720 - 1.700
R-factor	0.198
Rwork	0.198
R-free	0.21000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1axs 1fj1
RMSD bond length	0.005
RMSD bond angle	1.400
Data reduction software	HKL-2000
Data scaling software	SCALA
Phasing software	CNS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	1.790
High resolution limit [Å]	1.700	1.700
Rmerge	0.058	0.152
Number of reflections	29463
<I/σ(I)>		9.6
Completeness [%]	98.8	95.8
Redundancy	6.9	6.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.7	293	25% polyethylene glycol monomethyl ether 5000, 0.2M ammonium sulfate, 0.1M MES, 4.7% dimethylsulfoxide, 15% glycerol, pH 5.7, VAPOR DIFFUSION, HANGING DROP, temperature 293K