5ETZ

Structure of the all-trans isomer of pharaonis halorhodopsin in the absence of halide ions

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL38B1
Synchrotron site	SPring-8
Beamline	BL38B1
Temperature [K]	100
Detector technology	CCD
Collection date	2015-10-30
Detector	ADSC QUANTUM 315r
Wavelength(s)	1
Spacegroup name	C 1 2 1
Unit cell lengths	154.400, 97.770, 101.620
Unit cell angles	90.00, 128.81, 90.00

Refinement procedure

Resolution	15.000 - 1.800
Rwork	0.218
R-free	0.23570
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3qbg
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	CNS (1.21)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.770	1.900
High resolution limit [Å]	1.800	1.800
Rmerge	0.065	0.405
Number of reflections	99234
<I/σ(I)>	12.7	2.7
Completeness [%]	91.3	60.9
Redundancy	3.5	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	288	The crystal was prepared by the membrane fusion method. A mixture solution containing 3 mg/ml halorhodopsin, 9 mg/ml nonylglucoside, 1 M ammonium sulfate, 0.1 M sodium azide was concentrated by the sitting-drop vapor diffusion method. The crystal soaking in a halide-ion-free solution was performed under dim red light, and then the crystal was rapidly cooled with liquid propane at 87 K.