1UG4

Crystal Structure of Cardiotoxin VI from Taiwan Cobra (Naja atra) Venom

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL12B2
Synchrotron site	SPring-8
Beamline	BL12B2
Temperature [K]	110
Detector technology	CCD
Collection date	2002-12-12
Detector	ADSC QUANTUM 4
Wavelength(s)	1.0
Spacegroup name	H 3 2
Unit cell lengths	39.618, 39.618, 153.571
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 1.600
R-factor	0.24
Rwork	0.239
R-free	0.28070
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.400
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.690
High resolution limit [Å]	1.600	1.600
Number of reflections	6187
Completeness [%]	95.6	87

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	291	sodium formate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K