1SNB

STRUCTURE OF SCORPION NEUROTOXIN BMK M8

Experimental procedure

Temperature [K]	293
Detector technology	AREA DETECTOR
Collection date	1991-12-14
Detector	SIEMENS
Spacegroup name	P 1 21 1
Unit cell lengths	23.320, 38.560, 29.150
Unit cell angles	90.00, 107.48, 90.00

Refinement procedure

Resolution	8.000 - 1.900
R-factor	0.181
Rwork	0.181
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	AAH II
RMSD bond length	0.016
RMSD bond angle	26.040 *
Data reduction software	XENGEN
Data scaling software	XENGEN
Phasing software	X-PLOR
Refinement software	X-PLOR

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]		1.950
High resolution limit [Å]	1.850	1.850
Rmerge	0.052	0.118
Total number of observations	6130 *
Number of reflections	3802
<I/σ(I)>	10.2	4.59
Completeness [%]	88.4	17.3
Redundancy	1.6	1.15

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	4.55 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	20 (mg/ml)
2	1	drop		0.02 (M)
3	1	drop		0.2 (M)