1SN4

STRUCTURE OF SCORPION NEUROTOXIN BMK M4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-6A
Synchrotron site	Photon Factory
Beamline	BL-6A
Temperature [K]	283
Detector technology	IMAGE PLATE
Collection date	1991-12-14
Spacegroup name	P 61
Unit cell lengths	54.880, 54.880, 33.760
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 1.300
R-factor	0.166
Rwork	0.166
R-free	0.19200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	BMK M1
RMSD bond length	0.016
RMSD bond angle	25.380 *
Data reduction software	WEIS
Data scaling software	WEIS
Phasing software	AMoRE
Refinement software	X-PLOR

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	21.300	1.350
High resolution limit [Å]	1.300	1.300
Rmerge	0.062	0.320
Total number of observations	23268 *
Number of reflections	10578 *
<I/σ(I)>	3.7	2.2
Completeness [%]	73.5	60.2 *
Redundancy	2.2	1.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	6.8	23 *	pH 6.8

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	20 (mg/ml)
2	1	drop	acetic acid	0.001 (M)
3	1	reservoir	ammonium acetate	4.8 (M)