2D42

Crystal structure analysis of a non-toxic crystal protein from Bacillus thuringiensis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NW12A
Synchrotron site	Photon Factory
Beamline	AR-NW12A
Temperature [K]	100
Detector technology	CCD
Collection date	2003-06-04
Detector	ADSC QUANTUM 210
Wavelength(s)	1.0000
Spacegroup name	P 31 1 2
Unit cell lengths	95.380, 95.380, 130.727
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.670 - 2.070
R-factor	0.23
Rwork	0.230
R-free	0.26500
Structure solution method	MAD
RMSD bond length	0.006
RMSD bond angle	1.300
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SHARP
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.670	2.180
High resolution limit [Å]	2.070	2.070
Number of reflections	41642
<I/σ(I)>	32.8	9.6
Completeness [%]	99.9	99.8
Redundancy	11.9	10.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.8	298	10%(v/v) 2-methyl-2,4-pentanediol, 50-100mM ammonium sulfate, 100mM sodium citrate, 1mM Na-EDTA, 1mM DTT, pH 5.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K
1	VAPOR DIFFUSION, HANGING DROP	5.8	298	10%(v/v) 2-methyl-2,4-pentanediol, 50-100mM ammonium sulfate, 100mM sodium citrate, 1mM Na-EDTA, 1mM DTT, pH 5.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K