6IS6

Crystal structure of Thermoplasmatales archaeon heliorhodopsin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL32XU
Synchrotron site	SPring-8
Beamline	BL32XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-04-18
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.0000
Spacegroup name	C 2 2 21
Unit cell lengths	51.980, 109.350, 107.920
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.773 - 2.400
R-factor	0.1908
Rwork	0.189
R-free	0.22540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ax0
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.773	48.773	2.550
High resolution limit [Å]	2.400	7.200	2.400
Rmerge	0.324	0.062	2.472
Rmeas	0.328	0.063	2.506
Total number of observations	437886
Number of reflections	12404	520	2010
<I/σ(I)>	13.68	49.67	2.16
Completeness [%]	99.9	99	100
Redundancy	35.302	34.427	35.575
CC(1/2)	0.995	1.000	0.508

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	8	293	30% PEG 350MME, 100mM Tris-HCl, pH 8.0, 100mM potassium citrate