8RSS

Crystal structure of marine actinobacteria clade rhodopsin (MAR) in the O* 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	2022-01-20
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.8856
Spacegroup name	P 1 2 1
Unit cell lengths	50.608, 40.174, 60.307
Unit cell angles	90.00, 101.22, 90.00

Refinement procedure

Resolution	40.170 - 1.410
R-factor	0.1612
Rwork	0.159
R-free	0.19790
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.579
Data reduction software	XDS (20220110)
Data scaling software	STARANISO (2.3.94)
Phasing software	PHASER (2.8.4)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.170	40.170	1.550
High resolution limit [Å]	1.410	4.500	1.410
Rpim	0.047	0.019	0.344
Number of reflections	27492	1374	1375
<I/σ(I)>	7	19.7	1.3
Completeness [%]	88.8	92.4	46.5
Redundancy	2.5	2.4	1.7
CC(1/2)	0.998	0.999	0.709

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	8.4	293	2.6 M Ammonium Phosphate buffer