1JI6

CRYSTAL STRUCTURE OF THE INSECTICIDAL BACTERIAL DEL ENDOTOXIN CRY3Bb1 BACILLUS THURINGIENSIS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	1991-04-15
Detector	RIGAKU RAXIS II
Wavelength(s)	1.5418
Spacegroup name	C 2 2 21
Unit cell lengths	122.440, 131.810, 105.700
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 2.400
R-factor	0.175
Rwork	0.175
R-free	0.25300
Structure solution method	AB INITIO PHASING
RMSD bond length	0.009
RMSD bond angle	20.060 *
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	X-PLOR

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	8.000	8.000
High resolution limit [Å]	2.400	2.400
Rmerge	0.077 *	0.076
Total number of observations	91281 *
Number of reflections	30077
<I/σ(I)>	10.3	6.8
Completeness [%]	72.2	72.2
Redundancy	6.1	6.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Microdialysis *	7	37 *	Cody, V., (1992) Proteins Struct. Funct. Genet., 14. 324. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop		4 (M)
2	1	drop	HEPES	0.1 (M)
3	1	drop	Lubrol PX	0.5 (%(w/v))
4	1	reservoir		0.6 (M)
5	1	reservoir	HEPES	0.1 (M)
6	1	reservoir	Lubrol PX	0.5 (%(w/v))