5B0W

Crystal structure of the 11-cis 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	2015-06-11
Detector	RAYONIX MX225HE
Wavelength(s)	1
Spacegroup name	C 1 2 1
Unit cell lengths	154.320, 97.930, 101.530
Unit cell angles	90.00, 128.67, 90.00

Refinement procedure

Resolution	15.000 - 1.700
Rwork	0.202
R-free	0.21540
RMSD bond length	0.012
RMSD bond angle	1.450
Data reduction software	SCALA
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	CNS (1.21)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.700	1.790
High resolution limit [Å]	1.700	1.700
Rmerge	0.059	0.393
Number of reflections	125077
<I/σ(I)>	11.7	2.4
Completeness [%]	96.8	81.8
Redundancy	3.2	2.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	288	A mixture solution containing 3mg/ml halorhodopsin, 1M ammonium sulfate, 0.1M NaCl, 0.1 M sodium citrate, and 5.7mg/ml nonylglucoside was concentrated by the sitting-drop vapor diffusion method. Before data collection, the crystal was soaked in an alkaline solution containing no halide ions, illuminated with red light, and then soaked in a solution at pH 7.