6PEL

Crystal structure of bovine opsin with citronellol bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	173
Detector technology	PIXEL
Collection date	2016-10-22
Detector	DECTRIS EIGER R 4M
Wavelength(s)	1.033
Spacegroup name	H 3 2
Unit cell lengths	243.412, 243.412, 108.440
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.756 - 3.186
R-factor	0.2139
Rwork	0.212
R-free	0.24770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3cap
RMSD bond length	0.005
RMSD bond angle	0.834
Data reduction software	XDS
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	PHENIX ((1.10_2155))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.756	3.197
High resolution limit [Å]	3.186	3.186
Rmerge	0.081	0.549
Rmeas	0.090	0.596
Rpim	0.037	0.229
Number of reflections	20603	207
<I/σ(I)>	12.5
Completeness [%]	99.9	99
Redundancy	5.7	6.7
CC(1/2)	0.998	0.927

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	293	3.1-3.3M ammonium sulfate, 0.1M sodium acetate buffer, pH 5.5