2Z92

Crystal structure of the Fab fragment of anti-ciguatoxin antibody 10C9 in complex with CTX3C_ABCDE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	100
Detector technology	CCD
Collection date	2006-12-05
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	62.000, 67.650, 114.357
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	9.980 - 2.300
R-factor	0.228
Rwork	0.228
R-free	0.26900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1hq4 1z3g 3f58 1yec
RMSD bond length	0.009
RMSD bond angle	1.800
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.380
High resolution limit [Å]	2.300	2.300
Number of reflections	21987
Completeness [%]	99.7	97.2
Redundancy	6.6	4.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	293	0.1M tri-sodium Citrate dihydrate, 20% iso-Propanol, 20% PEG4000, pH5.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K