6S63

Dark-adapted structure of Archaerhodopsin-3 obtained from LCP crystals using a thin-film sandwich at room temperature

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	293
Detector technology	PIXEL
Collection date	2017-03-08
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.96862
Spacegroup name	P 21 21 21
Unit cell lengths	45.910, 48.351, 105.364
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	52.680 - 1.850
R-factor	0.1756
Rwork	0.175
R-free	0.19170
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1uaz
RMSD bond length	0.004
RMSD bond angle	0.951
Data reduction software	DIALS (3.25)
Data scaling software	Aimless
Phasing software	PHASER (2.7.17)
Refinement software	REFMAC (5.8.0232)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	105.360	1.880
High resolution limit [Å]	1.850	1.850
Rmerge	0.401	0.138
Rpim	0.126	0.623
Number of reflections	18417	876
<I/σ(I)>	6.6	1.3
Completeness [%]	89.0	88.13
Redundancy	8.5
CC(1/2)	0.995	0.316

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	5.5	293	100mM MES pH 5.5, 33% PEG 600, 150mM Na chloride, 150mM Ca chloride