5B34

Serial Femtosecond Crystallography (SFX) of Ground State Bacteriorhodopsin Crystallized from Bicelles in Complex with Iodine-labeled Detergent HAD13a 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	50.000 - 2.100
R-factor	0.16601
Rwork	0.163
R-free	0.21604
Structure solution method	SAD
RMSD bond length	0.016
RMSD bond angle	1.901
Phasing software	SHELX
Refinement software	REFMAC (5.8.0131)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.170
High resolution limit [Å]	2.100	2.100
Number of reflections	18388
<I/σ(I)>	5.7
Completeness [%]	100.0
Redundancy	107.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE		293	25%(w/v) DMPC/CHAPSO bicelles, 3.2 M NaH2PO4, 3.5%(w/v) triethylene glycol, 180 mM 1,6-hexanediol, 4 mM HAD13a