7VGU

Time-resolved serial femtosecond crystallography structure of light-driven chloride ion-pumping rhodopsin, NM-R3 : structure obtained 1 msec after photoexcitation with bromide ion

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	2019-02-02
Detector	MPCCD
Wavelength(s)	1.7714
Spacegroup name	C 1 2 1
Unit cell lengths	104.300, 51.100, 78.400
Unit cell angles	90.00, 131.50, 90.00

Refinement procedure

Resolution	29.360 - 2.100
R-factor	0.1835
Rwork	0.182
R-free	0.21090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5b2n
Data reduction software	CrystFEL (0.6.3)
Data scaling software	CrystFEL (0.6.3)
Phasing software	PHENIX
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.800	2.140
High resolution limit [Å]	2.100	2.100
Number of reflections	18261	929
<I/σ(I)>	11.6
Completeness [%]	100.0
Redundancy	363
CC(1/2)	0.993	0.918

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	7	293	38% PEG400, 300 mM K phosphate, and 100 mM HEPES (pH7.0)