7VSO

Serial Femtosecond Crystallography (SFX) of Ground State Bacteriorhodopsin Crystallized from Bicelles in Complex with HAD16 Determined Using 7-keV X-ray Free Electron Laser (XFEL) at SACLA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	FREE ELECTRON LASER
Source details	SACLA BEAMLINE BL3
Synchrotron site	SACLA
Beamline	BL3
Temperature [K]	293
Detector technology	CCD
Collection date	2015-11-22
Detector	MPCCD
Wavelength(s)	1.771
Spacegroup name	C 2 2 21
Unit cell lengths	46.200, 103.000, 128.700
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.900 - 2.350
R-factor	0.16025
Rwork	0.158
R-free	0.20982
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5b35
RMSD bond length	0.017
RMSD bond angle	1.955
Data reduction software	CrystFEL
Data scaling software	CrystFEL
Refinement software	REFMAC (5.8.0131)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.900	2.430
High resolution limit [Å]	2.350	2.350
Number of reflections	13211	897
<I/σ(I)>	7.34
Completeness [%]	100.0
Redundancy	206.2
CC(1/2)	0.991	0.488

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE		293	25%(W/V) DMPC/CHAPSO BICELLES, 3.2 M REMARK 280 NAH2PO4, 3.5%(W/V) TRIETHYLENE GLYCOL, 180 MM 1,6-HEXANEDIOL, 4 MM HAD16