5J7A

Bacteriorhodopsin ground state structure obtained with 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]	293
Detector technology	PIXEL
Collection date	2014-06-29
Detector	CS-PAD CXI-2
Wavelength(s)	1.83
Spacegroup name	P 63
Unit cell lengths	62.000, 62.000, 110.000
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	21.660 - 2.300
R-factor	0.1926
Rwork	0.191
R-free	0.21810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1h68
RMSD bond length	0.008
RMSD bond angle	1.165
Data reduction software	CrystFEL (0.6.1)
Data scaling software	CrystFEL (0.6.1)
Phasing software	PHASER (2.5.6)
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	21.900	2.410
High resolution limit [Å]	2.300	2.300
Number of reflections	11027
<I/σ(I)>	6.56	1.58
Completeness [%]	100.0	99.86
Redundancy	163	16.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	5.6	293	Precipitant: 29%-38% PEG 2000, 100 mM phosphate buffer pH 5.6. MAG 9.9 used for LCP formation. Crystallization setup in Hamilton syringe with tube of LCP surrounded by precipitant.