6SMS

Vegetative Insecticidal Protein 1 (Vip1Ac1) from Bacillus thuringiensis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-01-19
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9795
Spacegroup name	P 21 21 2
Unit cell lengths	105.170, 176.240, 48.780
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	51.290 - 1.470
R-factor	0.1583
Rwork	0.156
R-free	0.19770
Structure solution method	SAD
RMSD bond length	0.012
RMSD bond angle	1.707
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	SHELX
Refinement software	REFMAC (5.8.0253)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	51.290	1.510
High resolution limit [Å]	1.470	1.470
Rmerge	0.054	1.642
Rmeas	0.058	1.772
Rpim	0.022	0.656
Number of reflections	154836	11339
<I/σ(I)>	16	1.1
Completeness [%]	100.0	100
Redundancy	7.3	7
CC(1/2)	0.999	0.605

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	293	0.2 M MgCl2, 0.1 M MES, 20% w/v PEG3350