1JZB

Crystal Structure of Variant 2 Scorpion Toxin from Centruroides sculpturatus Ewing

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	OTHER
Temperature [K]	296
Detector technology	DIFFRACTOMETER
Collection date	1985-01-01
Detector	PICKER
Wavelength(s)	1.5418
Spacegroup name	P 32 2 1
Unit cell lengths	48.800, 48.800, 43.700
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 * - 2.800 *
R-factor	0.229 *
Rwork	0.233
R-free	0.28100 *
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007 *
RMSD bond angle	24.500 *
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	2.980
High resolution limit [Å]	2.800	2.800
Number of reflections	1609
Completeness [%]	99.2	96.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9.2	4 *	Ealick, S.E., (1984) J. Biol. Chem., 259, 12081. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	20 (mg/ml)
2	1	reservoir	MPD	33-36 (%(v/v))
3	1	reservoir	CHES	50 (mM)	pH8.6-9.8