8RSP

Crystal structure of marine actinobacteria clade rhodopsin (MAR) in the P596 state

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-10-17
Detector	DECTRIS EIGER2 X CdTe 16M
Wavelength(s)	0.9755
Spacegroup name	P 1
Unit cell lengths	40.684, 55.982, 56.728
Unit cell angles	64.41, 81.31, 84.43

Refinement procedure

Resolution	40.190 - 1.410
R-factor	0.2337
Rwork	0.232
R-free	0.26070
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.773
Data reduction software	XDS (20220110)
Data scaling software	STARANISO (2.3.89)
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]	40.190	40.190	1.540
High resolution limit [Å]	1.410	4.380	1.410
Rpim	0.029	0.015	1.069
Number of reflections	52344	2662	2662
<I/σ(I)>	11.5	43.6	0.7
Completeness [%]	79.5	92.6	45
Redundancy	3.8	3.8	3.9
CC(1/2)	0.999	0.999	0.285

Crystallization Conditions

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