1R1G

Crystal Structure of the Scorpion Toxin BmBKTtx1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2003-08-15
Detector	MARRESEARCH
Wavelength(s)	1.5478
Spacegroup name	P 1 21 1
Unit cell lengths	21.397, 39.695, 29.368
Unit cell angles	90.00, 94.13, 90.00

Refinement procedure

Resolution	15.000 * - 1.720
Rwork	0.166
R-free	0.22400
Structure solution method	SIRAS
RMSD bond length	0.006
RMSD bond angle	23.000 *
Data reduction software	XPREP
Data scaling software	HKL-2000
Phasing software	SHELXD
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.780
High resolution limit [Å]	1.720	1.720
Rmerge	0.036	0.089
Total number of observations	9834 *
Number of reflections	5064 *
<I/σ(I)>	65.5	19
Completeness [%]	95.4	91.6
Redundancy	12.6	12.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	sparse-matrix *		293	Sodium Formate, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1		protein	100 (mg/ml)