8RSO

Crystal structure of marine actinobacteria clade rhodopsin (MAR) in the ground state

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-07-01
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.9537
Spacegroup name	P 1
Unit cell lengths	40.710, 55.850, 56.640
Unit cell angles	64.09, 81.52, 85.29

Refinement procedure

Resolution	47.230 - 1.250
R-factor	0.1527
Rwork	0.151
R-free	0.17680
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.123
Data reduction software	XDS (20220110)
Data scaling software	STARANISO (2.3.79)
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]	47.230	47.230	1.360
High resolution limit [Å]	1.240	3.700	1.240
Rpim	0.037	0.031	0.670
Number of reflections	92902	4644	4644
<I/σ(I)>	9.6	23.7	1.3
Completeness [%]	86.6	98.4	35.3
Redundancy	3.6	3.6	2.5
CC(1/2)	0.996	0.994	0.352

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	8.8	293	3.0 M Ammonium Phosphate buffer, pH 8.8