7VGV

Anion free form of light-driven chloride ion-pumping rhodopsin, NM-R3, structure determined by serial femtosecond crystallography 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	2016-05-10
Detector	MPCCD
Wavelength(s)	1.771
Spacegroup name	P 21 21 21
Unit cell lengths	68.400, 69.500, 231.400
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.460 - 2.300
R-factor	0.2111
Rwork	0.210
R-free	0.24100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5b2n
Data reduction software	CrystFEL (0.61)
Data scaling software	CrystFEL (0.61)
Phasing software	PHENIX
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.300	2.340
High resolution limit [Å]	2.300	2.300
Number of reflections	50102	2805
<I/σ(I)>	5.41
Completeness [%]	100.0
Redundancy	136
CC(1/2)	0.984	0.473

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE		293	100 mM HEPES (pH7.0), 400-700 mM K phosphate, and 24-30% PEG400