9G15

Crystal structure of marine actinobacteria clade rhodopsin (MAR) in the O* state, pH 8.8

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-3
Synchrotron site	ESRF
Beamline	MASSIF-3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-05-25
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.9677
Spacegroup name	P 1 2 1
Unit cell lengths	50.528, 40.427, 60.663
Unit cell angles	90.00, 101.10, 90.00

Refinement procedure

Resolution	49.580 - 2.000
R-factor	0.2234
Rwork	0.219
R-free	0.26230
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.499
Data reduction software	XDS
Data scaling software	STARANISO (2.3.94)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.580	49.580	2.150
High resolution limit [Å]	2.000	6.350	2.000
Rpim	0.145	0.034	0.830
Number of reflections	10310	514	516
<I/σ(I)>	6	14.2	1.6
Completeness [%]	82.2	93.1	55.2
Redundancy	3.1	3	3.3
CC(1/2)	0.901	0.997	0.119

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	8.8	293	2.1 M Ammonium Phosphate buffer