1JZA

Crystal Structure of Variant 2 Scorpion Toxin from Centruroides sculpturatus Ewing

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	296
Detector technology	AREA DETECTOR
Collection date	1985-01-01
Detector	NICOLET
Wavelength(s)	1.5418
Spacegroup name	P 31 2 1
Unit cell lengths	48.800, 48.800, 87.200
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 * - 2.200
R-factor	0.255 *
Rwork	0.255
R-free	0.28700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2sn3
RMSD bond length	0.008
RMSD bond angle	22.500 *
Data reduction software	X-GEN
Data scaling software	X-GEN
Phasing software	X-PLOR
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	2.340
High resolution limit [Å]	2.200	2.200
Rmerge	0.074 *	0.095 *
Completeness [%]	99.5	99.6

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