8BEX

Structure of the Lysinibacillus sphaericus Tpp49Aa1 pesticidal protein at pH 3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	FREE ELECTRON LASER
Source details	EUROPEAN XFEL BEAMLINE SPB/SFX
Synchrotron site	European XFEL
Beamline	SPB/SFX
Temperature [K]	298
Detector technology	PIXEL
Collection date	2022-04-22
Detector	AGIPD
Wavelength(s)	1.33
Spacegroup name	P 21 21 21
Unit cell lengths	79.890, 82.840, 157.880
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.010 - 1.780
R-factor	0.1899
Rwork	0.189
R-free	0.21290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3wa1 5foy 5g37
RMSD bond length	0.011
RMSD bond angle	1.472
Data reduction software	CrystFEL
Data scaling software	CrystFEL (Ambigator)
Phasing software	PHASER (2.8.3)
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.010	1.800
High resolution limit [Å]	1.780	1.780
Number of reflections	100541	6177
<I/σ(I)>	10.5
Completeness [%]	99.5	92.76
Redundancy	183.7
CC(1/2)	0.997	0.138

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	IN CELL	3	298	Naturally grown