7ASX

Fixed-target serial femtosecond crystallography using in cellulo grown Neurospora crassa HEX-1 microcrystals. (Chip 1)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	FREE ELECTRON LASER
Source details	SLAC LCLS BEAMLINE MFX
Synchrotron site	SLAC LCLS
Beamline	MFX
Temperature [K]	298
Detector technology	PIXEL
Collection date	2017-10-02
Detector	CS-PAD CXI-1
Wavelength(s)	1.312
Spacegroup name	P 65 2 2
Unit cell lengths	58.750, 58.750, 192.830
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.734 - 1.800
R-factor	0.2298
Rwork	0.226
R-free	0.27310
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1khi
Data reduction software	Cheetah
Data scaling software	CrystFEL (v0.6.3)
Phasing software	PHASER (v1.16-3546)
Refinement software	PHENIX (v1.16-3546)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	39.900	4.230	1.849
High resolution limit [Å]	1.799	3.359	1.799
Number of reflections	19213	1556	1447
<I/σ(I)>	5.17	8.99	1.3
Completeness [%]	100.0	100	100
Redundancy	107.66	146.9	27.6
CC(1/2)	0.951	0.916	0.365

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	IN CELL		300.15	Neurospora crassa HEX-1 P3 rBV-infected Sf9 cells at multiplicity of infection 1, cultivated in serum-free ESF921 medium