6GUY

Room temperature structure of Archaerhodopsin-3 via LCP extruder using synchrotron radiation

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	2017-03-17
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.96862
Spacegroup name	P 21 21 21
Unit cell lengths	46.294, 48.271, 104.902
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.320 - 2.200
R-factor	0.2259
Rwork	0.223
R-free	0.25210
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1uaz
Data reduction software	DIALS (1.5.0)
Data scaling software	cctbx.prime
Phasing software	PHASER (2.7.17)
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.320	2.240
High resolution limit [Å]	2.200	2.200
Rmerge	0.715	0.888
Number of reflections	12478	600
<I/σ(I)>	2.16	0.47
Completeness [%]	100.0	100
Redundancy	31.3	14.2
CC(1/2)	0.937	0.535

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