6ABA

The crystal structure of the photoactivated state of Nonlabens marinus Rhodopsin 3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-03-02
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	102.641, 49.109, 69.176
Unit cell angles	90.00, 110.10, 90.00

Refinement procedure

Resolution	47.249 - 1.797
R-factor	0.2103
Rwork	0.209
R-free	0.23650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5g28
RMSD bond length	0.002
RMSD bond angle	0.945
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.249	1.840
High resolution limit [Å]	1.797	1.797
Rmerge	0.081
Number of reflections	29018
<I/σ(I)>	25.3
Completeness [%]	96.0
Redundancy	4.3
CC(1/2)	0.990

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	6	293	30% polyethylene glycol dimethyl ether 500, 0.1 M sodium chloride, 0.1 M MES (pH 6.0)