9G16

Crystal structure of marine actinobacteria clade rhodopsin (MAR) in the O state obtained by cryotrapping

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	50.537, 40.311, 60.299
Unit cell angles	90.00, 101.25, 90.00

Refinement procedure

Resolution	49.570 - 1.510
R-factor	0.1766
Rwork	0.175
R-free	0.20790
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.773
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]	49.570	49.570	1.630
High resolution limit [Å]	1.510	4.490	1.510
Rpim	0.046	0.017	0.501
Number of reflections	29957	1497	1498
<I/σ(I)>	10	33.6	1.4
Completeness [%]	91.0	99.3	44.3
Redundancy	3.8	3.8	3.1
CC(1/2)	0.998	0.998	0.533

Crystallization Conditions

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