7QX5

mosquitocidal Cry11Aa-Y449F determined at pH 7 from naturally-occurring nanocrystals by Serial femtosecond crystallography

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]	300
Detector technology	PIXEL
Collection date	2019-09-26
Detector	AGIPD
Wavelength(s)	1.33
Spacegroup name	I 2 2 2
Unit cell lengths	57.730, 155.550, 171.520
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.180 - 3.100
R-factor	0.2256
Rwork	0.224
R-free	0.25230
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	D_1292119069
Data reduction software	CrystFEL (0.8.0)
Data scaling software	CrystFEL (0.8.0)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.18.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	23.780	3.170
High resolution limit [Å]	3.100	3.100
Number of reflections	14447	950
<I/σ(I)>	9.95	1.35
Completeness [%]	99.7	100
Redundancy	1403.7
CC(1/2)	1.000	0.600

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	IN CELL	7	300	In cell crystallization by recombinant expression in a Bacillus thuringiensis serovar israelensis strain devoid of its pBt plasmid.