7R1E

Mosquitocidal Cry11Ba determined at pH 10.4 from naturally-occurring nanocrystals by Serial femtosecond crystallography

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	FREE ELECTRON LASER
Source details	SLAC LCLS BEAMLINE CXI
Synchrotron site	SLAC LCLS
Beamline	CXI
Temperature [K]	298
Detector technology	PIXEL
Collection date	2018-11-15
Detector	CS-PAD CXI-2
Wavelength(s)	1.303351
Spacegroup name	P 21 21 2
Unit cell lengths	167.499, 157.992, 57.428
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.720 - 2.650
R-factor	0.2376
Rwork	0.236
R-free	0.24730
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	7qyd
RMSD bond length	0.002
RMSD bond angle	0.408
Data reduction software	cctbx.xfel
Data scaling software	cctbx.prime
Phasing software	PHENIX (1.20_4459)
Refinement software	PHENIX (1.20_4459)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.720	2.700
High resolution limit [Å]	2.650	2.650
Number of reflections	45243	2204
<I/σ(I)>	3.98	1.02
Completeness [%]	99.4	100
Redundancy	77	21
CC(1/2)	0.985	0.152

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	IN CELL	10.4	303	crystallized in vivo