1UOS

The Crystal Structure of the Snake Venom Toxin Convulxin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	100
Detector technology	CCD
Collection date	2002-11-15
Detector	ADSC CCD
Spacegroup name	I 4
Unit cell lengths	132.458, 132.458, 112.959
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.700
R-factor	0.235
Rwork	0.235
R-free	0.24500 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bj3
RMSD bond length	0.010
RMSD bond angle	24.100 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.800
High resolution limit [Å]	2.700	2.700
Rmerge	0.205	0.484
Total number of observations	154959 *
Number of reflections	27008
<I/σ(I)>	10.2	2.7
Completeness [%]	99.9	99.9
Redundancy	5.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	8 *	277 *	100MM NA-ACETATE PH 4.0, 25% 1,4-BUTANEDIOL

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	1 (mg/ml)
2	1	drop	Tris-HCl	10 (mM)	pH8.0
3	1	drop		10 (mM)
4	1	reservoir	sodium acetate	100 (mM)	pH4.0
5	1	reservoir	1,4-butanediol	20-30 (%)