1SN1

STRUCTURE OF SCORPION NEUROTOXIN BMK M1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Temperature [K]	293
Detector technology	AREA DETECTOR
Collection date	1991-12-14
Detector	SIEMENS X200B
Spacegroup name	P 21 21 2
Unit cell lengths	83.420, 41.090, 23.930
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	100.000 - 1.700
R-factor	0.169 *
Rwork	0.169
R-free	0.20900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	BMK M8
RMSD bond length	0.016
RMSD bond angle	26.280 *
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]	29.300	1.800
High resolution limit [Å]	1.700	1.700
Rmerge	0.050
Total number of observations	20330 *
Number of reflections	8360
<I/σ(I)>	11
Completeness [%]	87.3	52.3 *
Redundancy	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Batch method *	7.5	23 *	pH 7.5

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	protein	3.3 (mg/ml)
2	1	1		0.005 (M)
3	1	1	sodium phosphate	0.07 (M)
4	1	1	MPD