7QYD

mosquitocidal Cry11Ba determined at pH 6.5 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	2016-09-18
Detector	CS-PAD CXI-2
Wavelength(s)	1.304373
Spacegroup name	P 21 21 2
Unit cell lengths	168.245, 158.528, 57.534
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.100 - 2.400
Rwork	0.183
R-free	0.23090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7qx4
RMSD bond length	0.008
RMSD bond angle	1.324
Data reduction software	cctbx.xfel
Data scaling software	cctbx.xfel
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.100	2.440
High resolution limit [Å]	2.400	2.400
Number of reflections	61141	2980
<I/σ(I)>	4.7
Completeness [%]	100.0	100
Redundancy	57.9	17.1
CC(1/2)	0.991	0.359

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	IN CELL	6.5	303	crystallized in vivo